General Information of the Compound
| Compound ID |
CP0467725
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| Compound Name |
(2S)-2-[[1-(7-chloroquinolin-4-yl)-2-(2-methoxyphenyl)imidazole-4-carbonyl]amino]-4-methylpentanoic acid
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| Structure |
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| Formula |
C26H25ClN4O4
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| Molecular Weight |
492.963
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| Canonical SMILES |
COc1ccccc1-c1nc(cn1-c1ccnc2cc(Cl)ccc12)C(=O)N[C@@H](CC(C)C)C(O)=O
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| InChI |
InChI=1S/C26H25ClN4O4/c1-15(2)12-20(26(33)34)30-25(32)21-14-31(24(29-21)18-6-4-5-7-23(18)35-3)22-10-11-28-19-13-16(27)8-9-17(19)22/h4-11,13-15,20H,12H2,1-3H3,(H,30,32)(H,33,34)/t20-/m0/s1
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| InChIKey |
NGGSJBMHUSYTID-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