General Information of the Compound
| Compound ID |
CP0965705
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| Compound Name |
N-(2-(2,3-difluoro-4-((4-isopropylpiperazin-1-yl)methyl)phenyl)pyridin-4-yl)-2-methoxy-5-morpholinopyridine-3-sulfonamide hemic formic acid salt
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| Formula |
C30H38F2N6O6S
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| Molecular Weight |
648.733
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| Canonical SMILES |
COc1ncc(N2CCOCC2)cc1S(=O)(=O)Nc1ccnc(-c2ccc(CN3CCN(C(C)C)CC3)c(F)c2F)c1.O=CO
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| InChI |
InChI=1S/C29H36F2N6O4S.CH2O2/c1-20(2)36-10-8-35(9-11-36)19-21-4-5-24(28(31)27(21)30)25-16-22(6-7-32-25)34-42(38,39)26-17-23(18-33-29(26)40-3)37-12-14-41-15-13-37;2-1-3/h4-7,16-18,20H,8-15,19H2,1-3H3,(H,32,34);1H,(H,2,3)
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| InChIKey |
VTVNYDXDNLZHNF-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