General Information of the Compound
| Compound ID |
CP0014353
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| Compound Name |
N-[5-[2-fluoro-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]pyridin-3-yl]-2-methoxy-5-morpholin-4-ylpyridine-3-sulfonamide
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| Structure |
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| Formula |
C29H37FN6O4S
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| Molecular Weight |
584.718
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| Canonical SMILES |
COc1ncc(cc1S(=O)(=O)Nc1cncc(c1)-c1ccc(CN2CCN(CC2)C(C)C)cc1F)N1CCOCC1
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| InChI |
InChI=1S/C29H37FN6O4S/c1-21(2)35-8-6-34(7-9-35)20-22-4-5-26(27(30)14-22)23-15-24(18-31-17-23)33-41(37,38)28-16-25(19-32-29(28)39-3)36-10-12-40-13-11-36/h4-5,14-19,21,33H,6-13,20H2,1-3H3
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| InChIKey |
WCFBNVGQXVMWGW-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