General Information of the Compound
| Compound ID |
CP0063016
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| Compound Name |
(4R)-3-[(2S,3S)-3-[[(2S)-2-[[2-[3-(dimethylamino)phenoxy]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 |
C41H53N5O7S
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| Molecular Weight |
759.97
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| Canonical SMILES |
CN(C)c1cccc(OCC(=O)N[C@@H]([C@H]2CCOC2)C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)N2CSC(C)(C)[C@H]2C(=O)NCc2c(C)cccc2C)c1
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| InChI |
InChI=1S/C41H53N5O7S/c1-26-12-10-13-27(2)32(26)22-42-39(50)37-41(3,4)54-25-46(37)40(51)36(48)33(20-28-14-8-7-9-15-28)43-38(49)35(29-18-19-52-23-29)44-34(47)24-53-31-17-11-16-30(21-31)45(5)6/h7-17,21,29,33,35-37,48H,18-20,22-25H2,1-6H3,(H,42,50)(H,43,49)(H,44,47)/t29-,33-,35-,36-,37+/m0/s1
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| InChIKey |
BLXQQISIZWRGMA-QSTCLUMXSA-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