General Information of the Compound
| Compound ID |
CP0466675
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| Compound Name |
(4R)-N-[(2,6-dimethylphenyl)methyl]-3-[(2S,3S)-2-hydroxy-3-[[(2S)-2-[(7-methoxy-1-benzofuran-2-carbonyl)amino]-3-methylbutanoyl]amino]-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
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| Structure |
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| Formula |
C40H48N4O7S
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| Molecular Weight |
728.912
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| Canonical SMILES |
COc1cccc2cc(oc12)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC(C)(C)[C@H]1C(=O)NCc1c(C)cccc1C
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| InChI |
InChI=1S/C40H48N4O7S/c1-23(2)32(43-36(46)31-20-27-17-12-18-30(50-7)34(27)51-31)37(47)42-29(19-26-15-9-8-10-16-26)33(45)39(49)44-22-52-40(5,6)35(44)38(48)41-21-28-24(3)13-11-14-25(28)4/h8-18,20,23,29,32-33,35,45H,19,21-22H2,1-7H3,(H,41,48)(H,42,47)(H,43,46)/t29-,32-,33-,35+/m0/s1
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| InChIKey |
NPWGXGTYNITJKW-WYFDDLIVSA-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