General Information of the Compound
| Compound ID |
CP0387108
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| Compound Name |
2-[carboxymethyl-[5-[2,5-dichloro-4-[[(4R)-4-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-1,3-thiazolidin-3-yl]methyl]phenyl]pentyl]amino]acetic acid
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| Structure |
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| Formula |
C31H38Cl2N4O5S
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| Molecular Weight |
649.641
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| Canonical SMILES |
OC(=O)CN(CCCCCc1cc(Cl)c(CN2CSC[C@H]2C(=O)N2CCN(C3CC3)c3ccccc23)cc1Cl)CC(O)=O
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| InChI |
InChI=1S/C31H38Cl2N4O5S/c32-24-15-22(25(33)14-21(24)6-2-1-5-11-34(17-29(38)39)18-30(40)41)16-35-20-43-19-28(35)31(42)37-13-12-36(23-9-10-23)26-7-3-4-8-27(26)37/h3-4,7-8,14-15,23,28H,1-2,5-6,9-13,16-20H2,(H,38,39)(H,40,41)/t28-/m0/s1
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| InChIKey |
GCJSQHMWWBTSJH-NDEPHWFRSA-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