General Information of the Compound
| Compound ID |
CP0354599
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| Compound Name |
(4R)-3-[(2S,3S)-2-hydroxy-3-[[(2S)-2-[(3R)-oxolan-3-yl]-2-(quinoxaline-2-carbonylamino)acetyl]amino]-4-phenylbutanoyl]-5,5-dimethyl-N-[(2-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
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| Structure |
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| Formula |
C39H44N6O6S
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| Molecular Weight |
724.884
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| Canonical SMILES |
Cc1ccccc1CNC(=O)[C@H]1N(CSC1(C)C)C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1cnc2ccccc2n1)[C@H]1CCOC1
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| InChI |
InChI=1S/C39H44N6O6S/c1-24-11-7-8-14-26(24)20-41-37(49)34-39(2,3)52-23-45(34)38(50)33(46)30(19-25-12-5-4-6-13-25)43-36(48)32(27-17-18-51-22-27)44-35(47)31-21-40-28-15-9-10-16-29(28)42-31/h4-16,21,27,30,32-34,46H,17-20,22-23H2,1-3H3,(H,41,49)(H,43,48)(H,44,47)/t27-,30-,32-,33-,34+/m0/s1
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| InChIKey |
ODVGJPWEYXKMAT-FBNHIDGJSA-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