General Information of the Compound
| Compound ID |
CP0419097
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| Compound Name |
1-[[1-(7-chloroquinolin-4-yl)-5-(2,6-dimethoxyphenyl)pyrazole-3-carbonyl]amino]cyclopentane-1-carboxylic acid
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| Structure |
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| Formula |
C27H25ClN4O5
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| Molecular Weight |
520.973
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| Canonical SMILES |
COc1cccc(OC)c1-c1cc(nn1-c1ccnc2cc(Cl)ccc12)C(=O)NC1(CCCC1)C(O)=O
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| InChI |
InChI=1S/C27H25ClN4O5/c1-36-22-6-5-7-23(37-2)24(22)21-15-19(25(33)30-27(26(34)35)11-3-4-12-27)31-32(21)20-10-13-29-18-14-16(28)8-9-17(18)20/h5-10,13-15H,3-4,11-12H2,1-2H3,(H,30,33)(H,34,35)
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| InChIKey |
ICJRPUREGDBESW-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