General Information of the Compound
| Compound ID |
CP0527764
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| Compound Name |
(2S,3S,4S,5S)-3-tert-butyl-1-(cyclohexanecarbonyl)-4-[[2-methoxy-5-(trifluoromethyl)pyridin-3-yl]methylamino]-5-phenylpyrrolidine-2-carboxylic acid
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| Structure |
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| Formula |
C30H38F3N3O4
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| Molecular Weight |
561.645
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| Canonical SMILES |
COc1ncc(cc1CN[C@@H]1[C@@H](N([C@@H]([C@H]1C(C)(C)C)C(O)=O)C(=O)C1CCCCC1)c1ccccc1)C(F)(F)F
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| InChI |
InChI=1S/C30H38F3N3O4/c1-29(2,3)22-23(34-16-20-15-21(30(31,32)33)17-35-26(20)40-4)24(18-11-7-5-8-12-18)36(25(22)28(38)39)27(37)19-13-9-6-10-14-19/h5,7-8,11-12,15,17,19,22-25,34H,6,9-10,13-14,16H2,1-4H3,(H,38,39)/t22-,23-,24-,25-/m0/s1
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| InChIKey |
HLEVENQGVHXBLD-QORCZRPOSA-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