General Information of the Compound
| Compound ID |
CP0497416
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| Compound Name |
N-[2-(dimethylamino)ethyl]-2-phenyl-N-[[4-[4-[(2-phenylethylamino)methyl]phenyl]phenyl]methyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C38H42F3N3O3
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| Molecular Weight |
645.766
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| Canonical SMILES |
OC(=O)C(F)(F)F.CN(C)CCN(Cc1ccc(cc1)-c1ccc(CNCCc2ccccc2)cc1)C(=O)C1CC1c1ccccc1
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| InChI |
InChI=1S/C36H41N3O.C2HF3O2/c1-38(2)23-24-39(36(40)35-25-34(35)33-11-7-4-8-12-33)27-30-15-19-32(20-16-30)31-17-13-29(14-18-31)26-37-22-21-28-9-5-3-6-10-28;3-2(4,5)1(6)7/h3-20,34-35,37H,21-27H2,1-2H3;(H,6,7)
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| InChIKey |
GGADNUNPJLQRBV-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