General Information of the Compound
| Compound ID |
CP0476942
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| Compound Name |
(2S,3S,4S,5S)-1-(cyclohexanecarbonyl)-3-(2-methoxypropan-2-yl)-4-[(2-methoxy-5-propan-2-ylpyridin-3-yl)methylamino]-5-phenylpyrrolidine-2-carboxylic acid
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| Structure |
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| Formula |
C32H45N3O5
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| Molecular Weight |
551.728
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| Canonical SMILES |
COc1ncc(cc1CN[C@@H]1[C@@H](N([C@@H]([C@H]1C(C)(C)OC)C(O)=O)C(=O)C1CCCCC1)c1ccccc1)C(C)C
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| InChI |
InChI=1S/C32H45N3O5/c1-20(2)23-17-24(29(39-5)34-18-23)19-33-26-25(32(3,4)40-6)28(31(37)38)35(27(26)21-13-9-7-10-14-21)30(36)22-15-11-8-12-16-22/h7,9-10,13-14,17-18,20,22,25-28,33H,8,11-12,15-16,19H2,1-6H3,(H,37,38)/t25-,26-,27-,28-/m0/s1
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| InChIKey |
OKVONNSZZKHSJB-LJWNLINESA-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