General Information of the Compound
| Compound ID |
CP0463630
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| Compound Name |
(2S)-2-[5-[2,5-dichloro-4-[[(4R)-4-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-1,3-thiazolidin-3-yl]methyl]phenyl]pentanoylamino]pentanedioic acid
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| Structure |
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| Formula |
C32H38Cl2N4O6S
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| Molecular Weight |
677.651
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| Canonical SMILES |
OC(=O)CC[C@H](NC(=O)CCCCc1cc(Cl)c(CN2CSC[C@H]2C(=O)N2CCN(C3CC3)c3ccccc23)cc1Cl)C(O)=O
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| InChI |
InChI=1S/C32H38Cl2N4O6S/c33-23-16-21(24(34)15-20(23)5-1-4-8-29(39)35-25(32(43)44)11-12-30(40)41)17-36-19-45-18-28(36)31(42)38-14-13-37(22-9-10-22)26-6-2-3-7-27(26)38/h2-3,6-7,15-16,22,25,28H,1,4-5,8-14,17-19H2,(H,35,39)(H,40,41)(H,43,44)/t25-,28-/m0/s1
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| InChIKey |
WWGDXFXXSXDORV-LSYYVWMOSA-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