General Information of the Compound
| Compound ID |
CP0378963
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| Compound Name |
(2S)-2-(1-(7-chloroquinolin-4-yl)-5-phenyl-1H-pyrazole-3-carboxamido)-4-methylpentanoic acid
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| Structure |
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| Formula |
C25H23ClN4O3
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| Molecular Weight |
462.937
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)c1cc(-c2ccccc2)n(n1)-c1ccnc2cc(Cl)ccc12)C(O)=O
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| InChI |
InChI=1S/C25H23ClN4O3/c1-15(2)12-21(25(32)33)28-24(31)20-14-23(16-6-4-3-5-7-16)30(29-20)22-10-11-27-19-13-17(26)8-9-18(19)22/h3-11,13-15,21H,12H2,1-2H3,(H,28,31)(H,32,33)/t21-/m0/s1
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| InChIKey |
PEGYBOFPNDMHLK-NRFANRHFSA-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