General Information of the Compound
| Compound ID |
CP0436920
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| Compound Name |
(2S)-2-(1-(7-chloroquinolin-4-yl)-5-(2-(trifluoromethoxy)phenyl)-1H-pyrazole-3-carboxamido)-4-methylpentanoic acid
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| Structure |
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| Formula |
C26H22ClF3N4O4
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| Molecular Weight |
546.933
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)c1cc(-c2ccccc2OC(F)(F)F)n(n1)-c1ccnc2cc(Cl)ccc12)C(O)=O
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| InChI |
InChI=1S/C26H22ClF3N4O4/c1-14(2)11-20(25(36)37)32-24(35)19-13-22(17-5-3-4-6-23(17)38-26(28,29)30)34(33-19)21-9-10-31-18-12-15(27)7-8-16(18)21/h3-10,12-14,20H,11H2,1-2H3,(H,32,35)(H,36,37)/t20-/m0/s1
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| InChIKey |
AWBJCBBPHILPEC-FQEVSTJZSA-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