General Information of the Compound
| Compound ID |
CP0427540
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| Compound Name |
(2S,3S,4S,5S)-3-tert-butyl-1-(cyclohexanecarbonyl)-4-[(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methylamino]-5-phenylpyrrolidine-2-carboxylic acid
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| Structure |
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| Formula |
C38H54N2O4
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| Molecular Weight |
602.86
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| Canonical SMILES |
COc1cc2c(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)CCC2(C)C
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| InChI |
InChI=1S/C38H54N2O4/c1-36(2,3)30-31(39-23-26-21-27-28(22-29(26)44-8)38(6,7)20-19-37(27,4)5)32(24-15-11-9-12-16-24)40(33(30)35(42)43)34(41)25-17-13-10-14-18-25/h9,11-12,15-16,21-22,25,30-33,39H,10,13-14,17-20,23H2,1-8H3,(H,42,43)/t30-,31-,32-,33-/m0/s1
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| InChIKey |
ZVPOOMSDWVYMPW-YRCZKMHPSA-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