General Information of the Compound
| Compound ID |
CP0533768
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| Compound Name |
7-(2-amino-3,5-dichloro-6-fluorophenyl)-6-chloro-1-(4-methyl-2-propan-2-ylpyridin-3-yl)-4-[(3R)-3-methyl-4-prop-2-enoylpiperazin-1-yl]-2-oxo-1,8-naphthyridine-3-carbonitrile
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| Formula |
C32H29Cl3FN7O2
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| Molecular Weight |
668.988
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| Canonical SMILES |
CC(C)c1nccc(C)c1-n1c2nc(c(Cl)cc2c(N2CCN([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/C32H29Cl3FN7O2/c1-6-23(44)42-10-9-41(14-17(42)5)30-18-11-22(35)28(24-25(36)20(33)12-21(34)26(24)38)40-31(18)43(32(45)19(30)13-37)29-16(4)7-8-39-27(29)15(2)3/h6-8,11-12,15,17H,1,9-10,14,38H2,2-5H3/t17-/m1/s1
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| InChIKey |
SKZPLBFYOPPFIH-QGZVFWFLSA-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