Molecular Properties | |
SMILES: | COc1ccncc1NC(=O)c1csc(CCN)n1 |
MW: | 278.08 |
Fraction sp3: | 0.25 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 90.13 |
cLogP: | 1.3 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-3906065931 |
MolPort: | MolPort-045-583-213 |
MAR-TRE-67513f76-68
0.652
MAR-TRE-9c797165-91
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MAR-TRE-67513f76-66
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BAR-COM-0f94fc3d-44
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BEN-DND-6de5dfa0-21
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BAR-COM-0f94fc3d-34
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JIN-POS-6dc588a4-3
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BAR-COM-0f94fc3d-60
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BAR-COM-0f94fc3d-54
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BAR-COM-0f94fc3d-23
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MAR-TRE-2fd8122f-99
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GAB-REV-70cc3ca5-15
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BAR-COM-0f94fc3d-45
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JIN-POS-6dc588a4-6
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BAR-COM-0f94fc3d-58
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JOH-IMS-d6628593-5
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CHO-MSK-6e55470f-16
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CHO-MSK-6e55470f-3
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ALE-HEI-f28a35b5-3
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JOH-IMS-d6628593-1
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CHO-MSK-6e55470f-10
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MAK-UNK-6ca90168-26
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ALE-HEI-f28a35b5-2
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MAT-POS-c9973a83-1
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MAR-TRE-f5c2d31c-94
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JOH-IMS-d6628593-3
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CHR-SOS-7098f804-10
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MAT-POS-89e65850-3
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MAT-POS-590ac91e-2
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MAT-POS-590ac91e-1
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ERI-UCB-5b47150d-1
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ANN-UNI-98d2bf15-1
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JOH-UNI-abfda500-6
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UNK-UNK-2ede4078-34
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PET-UNK-f4e47ebd-25
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BEN-DND-93268d01-5
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AAR-POS-d2a4d1df-3
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MAR-TRE-a78003aa-9
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DAR-DIA-0cde14eb-17
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PET-SGC-6e7c5dc0-1
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MAR-TRE-a78003aa-45
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MAK-UNK-6435e6c2-8
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PET-UNK-b566c0b0-6
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CHO-MSK-6e55470f-5
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GAB-REV-70cc3ca5-22
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DAN-RED-da448e80-13
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RAL-THA-6b94ceba-6
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MAR-TRE-36bf7dba-40
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CHR-SOS-7098f804-21
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MAT-POS-590ac91e-9
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NAU-LAT-0543f7f2-6
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EDG-MED-0da5ad92-7
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MAR-TRE-36bf7dba-52
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MAR-TRE-74c6519b-76
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BEN-DND-93268d01-2
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MIH-UNI-6b9ca91a-1
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ALE-HEI-f28a35b5-12
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MAT-POS-590ac91e-11
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MAT-POS-590ac91e-13
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PET-UNK-f4e47ebd-29
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RAL-THA-2d450e86-29
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MAT-POS-3b92565d-1
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MAT-POS-bbbbc21a-1
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UNK-UNK-2ede4078-23
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BAR-COM-0f94fc3d-25
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RAL-THA-6b94ceba-7
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RAL-THA-6b94ceba-13
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EDJ-MED-e58735b6-1
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DAR-DIA-03336633-15
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ALE-HEI-f28a35b5-10
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MAT-POS-54c4bf04-2
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MAK-UNK-f203cb68-21
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PET-SGC-a3e47117-1
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GAB-REV-70cc3ca5-14
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RIT-AID-50eb7195-1
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JUL-TUD-06b2044f-80
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BAR-COM-0f94fc3d-41
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BEN-DND-6de5dfa0-7
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MAR-TRE-36bf7dba-47
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ALP-POS-f13221e1-4
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BEN-DND-09b88bf4-6
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MAT-POS-6c3d76b3-1
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MAT-POS-0d6fb2dd-1
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MAT-POS-590ac91e-17
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ALE-HEI-f28a35b5-11
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EDJ-MED-611d11e7-10
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PET-UNK-f4e47ebd-17
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MAT-POS-a5ef2d74-3
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DAR-DIA-0cde14eb-21
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PET-UNK-f360ae44-16
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PET-UNK-f360ae44-8
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JUL-TUD-06b2044f-129
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MAT-POS-29385cc1-2
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GAB-REV-70cc3ca5-2
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JOH-MR_-42fa5481-10
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NAU-LAT-0543f7f2-5
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ASH-SAT-43770c7d-9
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MAK-UNK-372b0df5-1
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