General Information of the Compound
| Compound ID |
CP0498306
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| Compound Name |
Biphenyl-2-carboxylic acid (4-{8-[2-(4-methyl-[1,4]diazepan-1-yl)-acetyl]-5,6,7,8-tetrahydro-1-thia-4,8-diaza-azulene-4-carbonyl}-phenyl)-amide
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| Structure |
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| Formula |
C35H37N5O3S
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| Molecular Weight |
607.78
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| Canonical SMILES |
CN1CCCN(CC(=O)N2CCCN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3)c3ccsc23)CC1
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| InChI |
InChI=1S/C35H37N5O3S/c1-37-18-7-19-38(23-22-37)25-32(41)40-21-8-20-39(31-17-24-44-35(31)40)34(43)27-13-15-28(16-14-27)36-33(42)30-12-6-5-11-29(30)26-9-3-2-4-10-26/h2-6,9-17,24H,7-8,18-23,25H2,1H3,(H,36,42)
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| InChIKey |
JBWTUVNRRIWIJQ-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound