General Information of the Compound
| Compound ID |
CP0916896
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| Compound Name |
3-Cyclopentyl-N-(2-dimethylamino-ethyl)-N-{4'-[(2-phenoxy-ethylamino)-methyl]-biphenyl-4-ylmethyl}-propionamide TFA
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| Structure |
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| Formula |
C36H46F3N3O4
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| Molecular Weight |
641.775
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| Canonical SMILES |
CN(C)CCN(Cc1ccc(-c2ccc(CNCCOc3ccccc3)cc2)cc1)C(=O)CCC1CCCC1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C34H45N3O2.C2HF3O2/c1-36(2)23-24-37(34(38)21-16-28-8-6-7-9-28)27-30-14-19-32(20-15-30)31-17-12-29(13-18-31)26-35-22-25-39-33-10-4-3-5-11-33;3-2(4,5)1(6)7/h3-5,10-15,17-20,28,35H,6-9,16,21-27H2,1-2H3;(H,6,7)
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| InChIKey |
STPMUUHKHPRQCS-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