Molecular Properties | |
SMILES: | COc1ccc(C(=O)N2CCC(C(=O)N3CCC(Cc4ccccc4)CC3)CC2)cc1 |
MW: | 420.553 |
Fraction sp3: | 0.46 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 49.85 |
cLogP: | 4.0287 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-4000115149 |
Mcule Ultimate: | ZYULHYSNXYMUQH-UHFFFAOYSA-N |
MolPort: | MolPort-002-230-438 |
AAR-POS-d2a4d1df-1
DRA-CSI-47e38074-13
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DRA-CSI-47e38074-14
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DRA-CSI-47e38074-8
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DRA-CSI-47e38074-12
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DRA-CSI-47e38074-11
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DRA-CSI-47e38074-5
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DRA-CSI-47e38074-15
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DRA-CSI-47e38074-4
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MAT-POS-b5746674-16
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DRA-CSI-47e38074-16
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GIA-UNK-5ec6c2b8-1
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GIA-UNK-595fac82-2
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GIA-UNK-995df016-10
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DRA-CSI-47e38074-7
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GIA-UNK-eaadd1d4-1
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DRA-CSI-47e38074-9
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DRA-CSI-7ec17797-1
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DRA-CSI-7ec17797-12
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LON-WEI-4d77710c-54
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MAT-POS-b5746674-107
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LON-WEI-5e7d1b3e-54
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GIA-UNK-995df016-16
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MAK-UNK-212f693e-16
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GIA-UNK-5ec6c2b8-5
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DUN-NEW-f8ce3686-25
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MAK-UNK-212f693e-34
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MAR-TRE-fd17a9b8-6
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DRA-CSI-7ec17797-10
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DRA-CSI-7ec17797-16
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JAR-IMP-ed466bb3-20
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SAD-SAT-9a6c5cf3-7
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GIA-UNK-595fac82-5
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GIA-UNK-995df016-15
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MAT-POS-b5746674-62
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MAK-UNK-750cfbcc-5
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VIR-GIT-7b3d3065-2
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AAR-POS-0daf6b7e-9
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ALP-POS-a3de0cb1-15
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SAD-SAT-29425be4-29
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SAD-SAT-29425be4-26
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SAD-SAT-9a6c5cf3-4
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MAK-UNK-987948f6-2
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BRU-LEF-cf996d6c-1
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GIA-UNK-5ec6c2b8-3
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JON-UNI-bb9dc649-9
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WAR-XCH-72a8c209-3
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SAD-SAT-f0a2747f-2
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MAR-TRE-0fda4e82-74
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AHN-SAT-de2502ba-8
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AAR-POS-d2a4d1df-25
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ANT-OPE-7824651a-1
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SAD-SAT-9a6c5cf3-5
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DRA-CSI-7ec17797-6
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MAR-TRE-6a44bbf2-9
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PEI-IMP-668afc53-1
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GIA-UNK-995df016-3
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WIL-LEE-23e8b574-1
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