General Information of the Compound
| Compound ID |
CP0391976
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| Compound Name |
(S)-3-[(4'-Methoxy-biphenyl-4-carbonyl)-methyl-amino]-pyrrolidine-1-carboxylic acid methyl-((R)-1-methyl-pyrrolidin-3-yl)-amide
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| Structure |
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| Formula |
C26H34N4O3
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| Molecular Weight |
450.583
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| Canonical SMILES |
COc1ccc(cc1)-c1ccc(cc1)C(=O)N(C)[C@H]1CCN(C1)C(=O)N(C)[C@@H]1CCN(C)C1
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| InChI |
InChI=1S/C26H34N4O3/c1-27-15-13-22(17-27)29(3)26(32)30-16-14-23(18-30)28(2)25(31)21-7-5-19(6-8-21)20-9-11-24(33-4)12-10-20/h5-12,22-23H,13-18H2,1-4H3/t22-,23+/m1/s1
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| InChIKey |
XQHCATPGSUBVRY-PKTZIBPZSA-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