General Information of the Compound
| Compound ID |
CP0403584
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| Compound Name |
(2S)-2-[[2-(2,6-dimethoxyphenyl)-1-quinolin-4-ylimidazole-4-carbonyl]amino]-4-methylpentanoic acid
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| Structure |
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| Formula |
C27H28N4O5
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| Molecular Weight |
488.544
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| Canonical SMILES |
COc1cccc(OC)c1-c1nc(cn1-c1ccnc2ccccc12)C(=O)N[C@@H](CC(C)C)C(O)=O
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| InChI |
InChI=1S/C27H28N4O5/c1-16(2)14-19(27(33)34)30-26(32)20-15-31(21-12-13-28-18-9-6-5-8-17(18)21)25(29-20)24-22(35-3)10-7-11-23(24)36-4/h5-13,15-16,19H,14H2,1-4H3,(H,30,32)(H,33,34)/t19-/m0/s1
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| InChIKey |
KQEFWOPYRIREIY-IBGZPJMESA-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