General Information of the Compound
| Compound ID |
CP0405310
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| Compound Name |
2-[5-[2,5-dichloro-4-[[(4R)-4-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-1,3-thiazolidin-3-yl]methyl]phenyl]pentanoyl-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]acetic acid
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| Structure |
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| Formula |
C35H46Cl2N4O9S
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| Molecular Weight |
769.745
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| Canonical SMILES |
OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CN(CC(O)=O)C(=O)CCCCc1cc(Cl)c(CN2CSC[C@H]2C(=O)N2CCN(C3CC3)c3ccccc23)cc1Cl
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| InChI |
InChI=1S/C35H46Cl2N4O9S/c36-24-14-22(15-39-20-51-19-28(39)35(50)41-12-11-40(23-9-10-23)26-6-2-3-7-27(26)41)25(37)13-21(24)5-1-4-8-31(45)38(17-32(46)47)16-29(43)33(48)34(49)30(44)18-42/h2-3,6-7,13-14,23,28-30,33-34,42-44,48-49H,1,4-5,8-12,15-20H2,(H,46,47)/t28-,29-,30+,33+,34+/m0/s1
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| InChIKey |
MPAWIRVTUPOSSO-AULGTSCNSA-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