General Information of the Compound
| Compound ID |
CP0543195
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| Compound Name |
(2S,3S,4S,5S)-3-tert-butyl-4-[(5-chloro-2-methoxyphenyl)methylamino]-1-(cyclohexanecarbonyl)-5-phenylpyrrolidine-2-carboxylic acid
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| Structure |
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| Formula |
C30H39ClN2O4
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| Molecular Weight |
527.105
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| Canonical SMILES |
COc1ccc(Cl)cc1CN[C@H]1[C@@H]([C@H](N([C@H]1c1ccccc1)C(=O)C1CCCCC1)C(O)=O)C(C)(C)C
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| InChI |
InChI=1S/C30H39ClN2O4/c1-30(2,3)24-25(32-18-21-17-22(31)15-16-23(21)37-4)26(19-11-7-5-8-12-19)33(27(24)29(35)36)28(34)20-13-9-6-10-14-20/h5,7-8,11-12,15-17,20,24-27,32H,6,9-10,13-14,18H2,1-4H3,(H,35,36)/t24-,25-,26-,27-/m0/s1
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| InChIKey |
NHBDMWRHCNZJBW-FWEHEUNISA-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