General Information of the Compound
| Compound ID |
CP0476082
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| Compound Name |
(2S,3S,4S,5S)-3-tert-butyl-4-[(5-tert-butyl-2-methoxyphenyl)methylamino]-1-(cyclohexanecarbonyl)-5-[2-(dimethylamino)pyridin-3-yl]pyrrolidine-2-carboxylic acid
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| Structure |
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| Formula |
C35H52N4O4
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| Molecular Weight |
592.825
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| Canonical SMILES |
COc1ccc(cc1CN[C@@H]1[C@@H](N([C@@H]([C@H]1C(C)(C)C)C(O)=O)C(=O)C1CCCCC1)c1cccnc1N(C)C)C(C)(C)C
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| InChI |
InChI=1S/C35H52N4O4/c1-34(2,3)24-17-18-26(43-9)23(20-24)21-37-28-27(35(4,5)6)30(33(41)42)39(32(40)22-14-11-10-12-15-22)29(28)25-16-13-19-36-31(25)38(7)8/h13,16-20,22,27-30,37H,10-12,14-15,21H2,1-9H3,(H,41,42)/t27-,28-,29-,30-/m0/s1
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| InChIKey |
XPJWZHNFAJGWEH-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