General Information of the Compound
| Compound ID |
CP0391446
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| Compound Name |
(2S)-2-[[2-(2,6-dimethoxyphenyl)-1-naphthalen-1-ylimidazole-4-carbonyl]amino]-4-methylpentanoic acid
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| Structure |
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| Formula |
C28H29N3O5
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| Molecular Weight |
487.556
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| Canonical SMILES |
COc1cccc(OC)c1-c1nc(cn1-c1cccc2ccccc12)C(=O)N[C@@H](CC(C)C)C(O)=O
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| InChI |
InChI=1S/C28H29N3O5/c1-17(2)15-20(28(33)34)30-27(32)21-16-31(22-12-7-10-18-9-5-6-11-19(18)22)26(29-21)25-23(35-3)13-8-14-24(25)36-4/h5-14,16-17,20H,15H2,1-4H3,(H,30,32)(H,33,34)/t20-/m0/s1
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| InChIKey |
NPGYKQZRLMPJJJ-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