General Information of the Compound
| Compound ID |
CP0405311
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| Compound Name |
(2R,3R,4S,5R)-2-[5-[2,5-dichloro-4-[[(4R)-4-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-1,3-thiazolidin-3-yl]methyl]phenyl]pentanoylamino]-3,4,5,6-tetrahydroxyhexanoic acid
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| Structure |
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| Formula |
C33H42Cl2N4O8S
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| Molecular Weight |
725.692
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| Canonical SMILES |
OC[C@@H](O)[C@@H](O)[C@H](O)[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/C33H42Cl2N4O8S/c34-22-14-20(23(35)13-19(22)5-1-4-8-28(42)36-29(33(46)47)31(44)30(43)27(41)16-40)15-37-18-48-17-26(37)32(45)39-12-11-38(21-9-10-21)24-6-2-3-7-25(24)39/h2-3,6-7,13-14,21,26-27,29-31,40-41,43-44H,1,4-5,8-12,15-18H2,(H,36,42)(H,46,47)/t26-,27+,29+,30+,31+/m0/s1
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| InChIKey |
MAPQRVHQTODEMD-KCLYVBLVSA-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