General Information of the Compound
| Compound ID |
CP0525873
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| Compound Name |
3-[Methyl-(4''-trifluoromethyl-biphenyl-4-carbonyl)-amino]-pyrrolidine-1-carboxylic acid methyl-[1-(tetrahydro-pyran-4-yl)-pyrrolidin-3-yl]-amide
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| Structure |
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| Formula |
C30H37F3N4O3
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| Molecular Weight |
558.645
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| Canonical SMILES |
CN(C1CCN(C1)C1CCOCC1)C(=O)N1CCC(C1)N(C)C(=O)c1ccc(cc1)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C30H37F3N4O3/c1-34(28(38)23-5-3-21(4-6-23)22-7-9-24(10-8-22)30(31,32)33)26-12-16-37(20-26)29(39)35(2)27-11-15-36(19-27)25-13-17-40-18-14-25/h3-10,25-27H,11-20H2,1-2H3
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| InChIKey |
LDJHHVNOOGLYRV-UHFFFAOYSA-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