General Information of the Compound
| Compound ID |
CP0571262
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| Compound Name |
(4S)-6-(2-chloro-4-methylanilino)-4-[4-cyclopropyl-5-[4-(2-methylpropyl)phenyl]-1,2-oxazol-3-yl]-6-oxohexanoic acid
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| Structure |
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| Formula |
C29H33ClN2O4
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| Molecular Weight |
509.046
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| Canonical SMILES |
CC(C)Cc1ccc(cc1)-c1onc([C@@H](CCC(O)=O)CC(=O)Nc2ccc(C)cc2Cl)c1C1CC1
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| InChI |
InChI=1S/C29H33ClN2O4/c1-17(2)14-19-5-7-21(8-6-19)29-27(20-9-10-20)28(32-36-29)22(11-13-26(34)35)16-25(33)31-24-12-4-18(3)15-23(24)30/h4-8,12,15,17,20,22H,9-11,13-14,16H2,1-3H3,(H,31,33)(H,34,35)/t22-/m0/s1
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| InChIKey |
MTYPXFRCKZFZDI-QFIPXVFZSA-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