General Information of the Compound
| Compound ID |
CP0532464
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| Compound Name |
(2S,3S,4S,5S)-3-tert-butyl-1-(cyclohexanecarbonyl)-4-[(2-methoxy-5-propan-2-ylphenyl)methylamino]-5-phenylpyrrolidine-2-carboxylic acid
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| Structure |
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| Formula |
C33H46N2O4
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| Molecular Weight |
534.741
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| Canonical SMILES |
COc1ccc(cc1CN[C@H]1[C@@H]([C@H](N([C@H]1c1ccccc1)C(=O)C1CCCCC1)C(O)=O)C(C)(C)C)C(C)C
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| InChI |
InChI=1S/C33H46N2O4/c1-21(2)24-17-18-26(39-6)25(19-24)20-34-28-27(33(3,4)5)30(32(37)38)35(29(28)22-13-9-7-10-14-22)31(36)23-15-11-8-12-16-23/h7,9-10,13-14,17-19,21,23,27-30,34H,8,11-12,15-16,20H2,1-6H3,(H,37,38)/t27-,28-,29-,30-/m0/s1
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| InChIKey |
UQLZDJOURMBLCT-KRCBVYEFSA-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