Molecular Properties | |
SMILES: | O=C(O)C(Cc1c[nH]c2ccccc12)Nc1ncccn1 |
MW: | 282.11 |
Fraction sp3: | 0.13 |
HBA: | 4 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 90.9 |
cLogP: | 2.07 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-1118163068 |
MolPort: | MolPort-008-347-649 |
NIC-BIO-3276ca7f-7
0.474
NIC-BIO-3276ca7f-2
0.468
MAR-TRE-74c6519b-79
0.458
MAR-TRE-4f781e27-69
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MAR-UCB-195bc32d-18
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MAR-UCB-195bc32d-9
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MAR-TRE-4f781e27-6
0.451
MAR-TRE-85681e92-33
0.449
MAR-TRE-4f39ef4a-5
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SAN-PRS-3c4a6997-2
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CUN-WAB-25b584ee-1
0.427
YIA-UNI-71f25a82-1
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YIA-UNI-71f25a82-2
0.406
SAL-INS-68b48d12-7
0.404
MAR-UCB-195bc32d-22
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SAL-INS-68b48d12-9
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MAR-TRE-4f39ef4a-9
0.400
CUN-WAB-25b584ee-2
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SAL-INS-68b48d12-5
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MAR-TRE-85681e92-45
0.386
SAL-INS-68b48d12-10
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NJA-MAN-b9fb953f-5
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MAR-TRE-85681e92-38
0.381
MAR-TRE-85681e92-60
0.381
SUN-WAB-e274cdaf-1
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MAR-TRE-85681e92-20
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MAR-TRE-85681e92-68
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SAL-INS-68b48d12-8
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SAL-INS-68b48d12-6
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MAR-TRE-85681e92-64
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WIL-UNI-1faa9b10-29
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JOH-MSK-a63bdd1d-10
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MAR-TRE-85681e92-53
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MAR-TRE-85681e92-69
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MAR-UCB-195bc32d-13
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ANT-OPE-ab37bd51-2
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AAR-UNI-c25c2f1e-72
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MAR-TRE-fd17a9b8-35
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AAR-UNI-c25c2f1e-26
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MAR-TRE-fd17a9b8-10
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MAR-TRE-be9ff7d2-9
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MAR-TRE-be9ff7d2-10
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MAR-TRE-b77b7921-67
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NIC-BIO-3276ca7f-4
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BRU-UNI-248b30bc-8
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MAR-TRE-36bf7dba-26
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MAR-TRE-fd17a9b8-18
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RED-RED-10c9212c-33
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RED-RED-10c9212c-42
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AAR-UNI-c25c2f1e-73
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LON-WEI-5e7d1b3e-20
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LON-WEI-4d77710c-20
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FEL-WAB-fb168420-3
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FEL-WAB-fb168420-2
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AAR-UNI-c25c2f1e-29
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MAR-TRE-36bf7dba-27
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LON-WEI-1908424e-9
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NIC-BIO-3276ca7f-1
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AAR-UNI-c25c2f1e-34
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MAR-TRE-f6f5f473-6
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NIM-UNI-310206f0-49
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MAT-POS-162a9720-8
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ALP-POS-a3de0cb1-15
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BRU-UNI-248b30bc-12
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GAB-REV-df64cf17-18
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MAR-UCB-195bc32d-4
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MAR-TRE-36bf7dba-21
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MAT-POS-ea426761-94
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MAR-TRE-8190bb11-25
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RED-RED-10c9212c-54
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ALP-POS-8ed8d9ec-6
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ALP-POS-8ed8d9ec-2
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MAR-TRE-fd17a9b8-25
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NIC-BIO-3276ca7f-5
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MAR-TRE-4f781e27-94
0.280
MAR-TRE-4f781e27-96
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IAN-BAS-8ad3d156-1
0.279
MAR-TRE-74c6519b-68
0.278
NIC-BIO-3276ca7f-6
0.276
MAK-UNK-10572812-2
0.274
MAR-TRE-4f781e27-26
0.274
MAR-TRE-3159af1a-76
0.272
MAR-TRE-c317dd82-38
0.271
MAR-TRE-92684b97-97
0.269
JUR-SOU-0920801e-6
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MAR-TRE-3159af1a-9
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MAR-TRE-92684b97-5
0.267
MAR-TRE-9d18ae8c-91
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JIN-POS-6dc588a4-5
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BUT-SEX-9e782cc8-1
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NIC-BIO-b40446ce-2
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MAR-TRE-fd17a9b8-41
0.262
GAB-REV-70cc3ca5-17
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MAR-TRE-799db12b-12
0.260
MAR-TRE-92684b97-10
0.260
MAR-TRE-fd17a9b8-1
0.260
ABI-SAT-30e287c1-2
0.259
MAR-TRE-66ac689e-52
0.258
MAR-TRE-fd17a9b8-29
0.258
ANT-OPE-ab37bd51-1
0.256