General Information of the Compound
| Compound ID |
CP0463311
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| Compound Name |
4-((4-cyano-N-(pyridin-2-ylmethyl)phenylsulfonamido)methyl)-N-(1-phenylcyclopropyl)benzamide
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| Structure |
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| Formula |
C30H26N4O3S
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| Molecular Weight |
522.63
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| Canonical SMILES |
O=C(NC1(CC1)c1ccccc1)c1ccc(CN(Cc2ccccn2)S(=O)(=O)c2ccc(cc2)C#N)cc1
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| InChI |
InChI=1S/C30H26N4O3S/c31-20-23-11-15-28(16-12-23)38(36,37)34(22-27-8-4-5-19-32-27)21-24-9-13-25(14-10-24)29(35)33-30(17-18-30)26-6-2-1-3-7-26/h1-16,19H,17-18,21-22H2,(H,33,35)
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| InChIKey |
GPKXUWGGWYEMBD-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