General Information of the Compound
| Compound ID |
CP0378961
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| Compound Name |
(2S)-2-[[1-(7-chloroquinolin-4-yl)-5-(2,6-dimethoxyphenyl)pyrazole-3-carbonyl]amino]-2-cyclohexylacetic acid
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| Synonyms |
SR 48527
SR-48527
SR48527
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| Structure |
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| Formula |
C29H29ClN4O5
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| Molecular Weight |
549.027
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| Canonical SMILES |
COc1cccc(OC)c1-c1cc(nn1-c1ccnc2cc(Cl)ccc12)C(=O)N[C@@H](C1CCCCC1)C(O)=O
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| InChI |
InChI=1S/C29H29ClN4O5/c1-38-24-9-6-10-25(39-2)26(24)23-16-21(28(35)32-27(29(36)37)17-7-4-3-5-8-17)33-34(23)22-13-14-31-20-15-18(30)11-12-19(20)22/h6,9-17,27H,3-5,7-8H2,1-2H3,(H,32,35)(H,36,37)/t27-/m0/s1
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| InChIKey |
PXNTUYAGLGTUKX-MHZLTWQESA-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
Clinical Information about the Compound