General Information of the Compound
| Compound ID |
CP0949368
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| Compound Name |
N-(2-Dimethylamino-ethyl)-N-[4'-(phenethylamino-methyl)-biphenyl-4-ylmethyl]-benzamide TFA
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| Structure |
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| Formula |
C35H38F3N3O3
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| Molecular Weight |
605.701
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| Canonical SMILES |
CN(C)CCN(Cc1ccc(-c2ccc(CNCCc3ccccc3)cc2)cc1)C(=O)c1ccccc1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C33H37N3O.C2HF3O2/c1-35(2)23-24-36(33(37)32-11-7-4-8-12-32)26-29-15-19-31(20-16-29)30-17-13-28(14-18-30)25-34-22-21-27-9-5-3-6-10-27;3-2(4,5)1(6)7/h3-20,34H,21-26H2,1-2H3;(H,6,7)
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| InChIKey |
WQXMJEFJMWQXIB-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