General Information of the Compound
| Compound ID |
CP0391954
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| Compound Name |
2-[[2-[[2-[5-[2,5-dichloro-4-[[(4R)-4-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-1,3-thiazolidin-3-yl]methyl]phenyl]pentanoylamino]acetyl]amino]acetyl]amino]acetic acid
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| Structure |
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| Formula |
C33H40Cl2N6O6S
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| Molecular Weight |
719.692
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| Canonical SMILES |
OC(=O)CNC(=O)CNC(=O)CNC(=O)CCCCc1cc(Cl)c(CN2CSC[C@H]2C(=O)N2CCN(C3CC3)c3ccccc23)cc1Cl
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| InChI |
InChI=1S/C33H40Cl2N6O6S/c34-24-14-22(25(35)13-21(24)5-1-4-8-29(42)36-15-30(43)37-16-31(44)38-17-32(45)46)18-39-20-48-19-28(39)33(47)41-12-11-40(23-9-10-23)26-6-2-3-7-27(26)41/h2-3,6-7,13-14,23,28H,1,4-5,8-12,15-20H2,(H,36,42)(H,37,43)(H,38,44)(H,45,46)/t28-/m0/s1
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| InChIKey |
NBLJTDSIKBMXTM-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