General Information of the Compound
| Compound ID |
CP0558394
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| Compound Name |
4-amino-3,5-dichloro-N-[4-(2-cyanopyrrol-1-yl)-1-(2-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide
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| Structure |
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| Formula |
C21H25Cl2N5O3S
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| Molecular Weight |
498.436
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| Canonical SMILES |
CC1CCCCN1C(=O)C(CCn1cccc1C#N)NS(=O)(=O)c1cc(Cl)c(N)c(Cl)c1
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| InChI |
InChI=1S/C21H25Cl2N5O3S/c1-14-5-2-3-9-28(14)21(29)19(7-10-27-8-4-6-15(27)13-24)26-32(30,31)16-11-17(22)20(25)18(23)12-16/h4,6,8,11-12,14,19,26H,2-3,5,7,9-10,25H2,1H3
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| InChIKey |
WPYNFVJDHQRBAL-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