General Information of the Compound
| Compound ID |
CP0533767
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| Compound Name |
7-(2-amino-3,5-dichloro-6-fluorophenyl)-6-chloro-4-[(3S,5R)-3,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-1-(4-methyl-2-propan-2-ylpyridin-3-yl)-2-oxo-1,8-naphthyridine-3-carbonitrile
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| Formula |
C33H31Cl3FN7O2
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| Molecular Weight |
683.015
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| Canonical SMILES |
CC(C)c1nccc(C)c1-n1c2nc(c(Cl)cc2c(N2C[C@H](C)N([C@H](C)C2)C(=O)C=C)c(C#N)c1=O)-c1c(N)c(Cl)cc(Cl)c1F
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| InChI |
InChI=1S/C33H31Cl3FN7O2/c1-7-24(45)43-17(5)13-42(14-18(43)6)31-19-10-23(36)29(25-26(37)21(34)11-22(35)27(25)39)41-32(19)44(33(46)20(31)12-38)30-16(4)8-9-40-28(30)15(2)3/h7-11,15,17-18H,1,13-14,39H2,2-6H3/t17-,18+
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| InChIKey |
WRUSEXGILYGCCV-HDICACEKSA-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