General Information of the Compound
| Compound ID |
CP0442333
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| Compound Name |
(2S)-2-[[1-(7-chloroquinolin-4-yl)-2-(2,6-dimethylphenyl)imidazole-4-carbonyl]amino]-4-methylpentanoic acid
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| Structure |
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| Formula |
C27H27ClN4O3
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| Molecular Weight |
490.991
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)c1cn(c(n1)-c1c(C)cccc1C)-c1ccnc2cc(Cl)ccc12)C(O)=O
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| InChI |
InChI=1S/C27H27ClN4O3/c1-15(2)12-21(27(34)35)31-26(33)22-14-32(25(30-22)24-16(3)6-5-7-17(24)4)23-10-11-29-20-13-18(28)8-9-19(20)23/h5-11,13-15,21H,12H2,1-4H3,(H,31,33)(H,34,35)/t21-/m0/s1
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| InChIKey |
RNLWKLLYIRKGRS-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