General Information of the Compound
| Compound ID |
CP0375732
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| Compound Name |
(S)-3-[(4'-Methoxy-2'-methyl-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 |
C27H36N4O3
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| Molecular Weight |
464.61
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| Canonical SMILES |
COc1ccc(c(C)c1)-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/C27H36N4O3/c1-19-16-24(34-5)10-11-25(19)20-6-8-21(9-7-20)26(32)29(3)23-13-15-31(18-23)27(33)30(4)22-12-14-28(2)17-22/h6-11,16,22-23H,12-15,17-18H2,1-5H3/t22-,23+/m1/s1
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| InChIKey |
UNYWHGUXRKLPLU-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