General Information of the Compound
| Compound ID |
CP0444490
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| Compound Name |
7-(2-amino-3,5-dichloro-6-fluorophenyl)-6-chloro-1-[4,6-di(propan-2-yl)pyrimidin-5-yl]-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carbonitrile
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| Formula |
C32H30Cl3FN8O2
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| Molecular Weight |
684.003
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| Canonical SMILES |
CC(C)c1ncnc(C(C)C)c1-n1c2nc(c(Cl)cc2c(N2CCN(CC2)C(=O)C=C)c(C#N)c1=O)-c1c(N)c(Cl)cc(Cl)c1F
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| InChI |
InChI=1S/C32H30Cl3FN8O2/c1-6-22(45)42-7-9-43(10-8-42)29-17-11-21(35)28(23-24(36)19(33)12-20(34)25(23)38)41-31(17)44(32(46)18(29)13-37)30-26(15(2)3)39-14-40-27(30)16(4)5/h6,11-12,14-16H,1,7-10,38H2,2-5H3
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| InChIKey |
PXVMFIYXYKYNCY-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