General Information of the Compound
| Compound ID |
CP0400659
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| Compound Name |
4-((4-cyano-N-(pyridin-2-ylmethyl)phenylsulfonamido)methyl)-N-(cyclopropylmethyl)benzamide
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| Structure |
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| Formula |
C25H24N4O3S
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| Molecular Weight |
460.559
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| Canonical SMILES |
O=C(NCC1CC1)c1ccc(CN(Cc2ccccn2)S(=O)(=O)c2ccc(cc2)C#N)cc1
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| InChI |
InChI=1S/C25H24N4O3S/c26-15-19-8-12-24(13-9-19)33(31,32)29(18-23-3-1-2-14-27-23)17-21-6-10-22(11-7-21)25(30)28-16-20-4-5-20/h1-3,6-14,20H,4-5,16-18H2,(H,28,30)
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| InChIKey |
YUJYRGRWVQPUCK-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