General Information of the Compound
| Compound ID |
CP0353830
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| Compound Name |
(4R)-3-[(2S,3S)-3-[[(2S)-2-[[2-(3-anilinophenoxy)acetyl]amino]-2-[(3R)-oxolan-3-yl]acetyl]amino]-2-hydroxy-4-phenylbutanoyl]-N-[(2,6-dimethylphenyl)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
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| Structure |
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| Formula |
C45H53N5O7S
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| Molecular Weight |
808.014
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| Canonical SMILES |
Cc1cccc(C)c1CNC(=O)[C@H]1N(CSC1(C)C)C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)COc1cccc(Nc2ccccc2)c1)[C@H]1CCOC1
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| InChI |
InChI=1S/C45H53N5O7S/c1-29-13-11-14-30(2)36(29)25-46-43(54)41-45(3,4)58-28-50(41)44(55)40(52)37(23-31-15-7-5-8-16-31)48-42(53)39(32-21-22-56-26-32)49-38(51)27-57-35-20-12-19-34(24-35)47-33-17-9-6-10-18-33/h5-20,24,32,37,39-41,47,52H,21-23,25-28H2,1-4H3,(H,46,54)(H,48,53)(H,49,51)/t32-,37-,39-,40-,41+/m0/s1
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| InChIKey |
HLPSKJUYOCQELH-YGVILMIPSA-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