General Information of the Compound
| Compound ID |
CP0562768
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| Compound Name |
(2S,3S,4S,5S)-3-tert-butyl-4-[(5-tert-butyl-2-methoxyphenyl)methylamino]-1-(cyclohexanecarbonyl)-5-phenylpyrrolidine-2-carboxylic acid
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| Structure |
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| Formula |
C34H48N2O4
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| Molecular Weight |
548.768
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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)C
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| InChI |
InChI=1S/C34H48N2O4/c1-33(2,3)25-18-19-26(40-7)24(20-25)21-35-28-27(34(4,5)6)30(32(38)39)36(29(28)22-14-10-8-11-15-22)31(37)23-16-12-9-13-17-23/h8,10-11,14-15,18-20,23,27-30,35H,9,12-13,16-17,21H2,1-7H3,(H,38,39)/t27-,28-,29-,30-/m0/s1
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| InChIKey |
HVMJGXPBCAAHON-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