General Information of the Compound
| Compound ID |
CP0555839
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| Compound Name |
2-[4-[2-[[5-chloro-4-[2-(1-methylimidazol-2-yl)anilino]pyrimidin-2-yl]amino]-1-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]piperazin-1-yl]ethanol
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| Structure |
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| Formula |
C32H39ClN8O2
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| Molecular Weight |
603.171
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| Canonical SMILES |
COc1c(Nc2ncc(Cl)c(Nc3ccccc3-c3nccn3C)n2)ccc2CC(CCCc12)N1CCN(CCO)CC1
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| InChI |
InChI=1S/C32H39ClN8O2/c1-39-13-12-34-31(39)25-7-3-4-9-27(25)36-30-26(33)21-35-32(38-30)37-28-11-10-22-20-23(6-5-8-24(22)29(28)43-2)41-16-14-40(15-17-41)18-19-42/h3-4,7,9-13,21,23,42H,5-6,8,14-20H2,1-2H3,(H2,35,36,37,38)
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| InChIKey |
COZPORUDEQRJMN-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