General Information of the Compound
| Compound ID |
CP0489975
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| Compound Name |
(2S)-2-[[1-(7-chloroquinolin-4-yl)-5-(2,6-difluorophenyl)pyrazole-3-carbonyl]amino]-2-cyclohexylacetic acid
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| Structure |
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| Formula |
C27H23ClF2N4O3
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| Molecular Weight |
524.955
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| Canonical SMILES |
OC(=O)[C@@H](NC(=O)c1cc(-c2c(F)cccc2F)n(n1)-c1ccnc2cc(Cl)ccc12)C1CCCCC1
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| InChI |
InChI=1S/C27H23ClF2N4O3/c28-16-9-10-17-20(13-16)31-12-11-22(17)34-23(24-18(29)7-4-8-19(24)30)14-21(33-34)26(35)32-25(27(36)37)15-5-2-1-3-6-15/h4,7-15,25H,1-3,5-6H2,(H,32,35)(H,36,37)/t25-/m0/s1
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| InChIKey |
XJSGFYNGKBZELF-VWLOTQADSA-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