General Information of the Compound
| Compound ID |
CP0449028
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| Compound Name |
3-cyclopentyl-N-[[4-[4-[(2-phenylethylamino)methyl]phenyl]phenyl]methyl]-N-(piperidin-2-ylmethyl)propanamide;2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C38H48F3N3O3
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| Molecular Weight |
651.814
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| Canonical SMILES |
OC(=O)C(F)(F)F.O=C(CCC1CCCC1)N(CC1CCCCN1)Cc1ccc(cc1)-c1ccc(CNCCc2ccccc2)cc1
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| InChI |
InChI=1S/C36H47N3O.C2HF3O2/c40-36(22-17-29-10-4-5-11-29)39(28-35-12-6-7-24-38-35)27-32-15-20-34(21-16-32)33-18-13-31(14-19-33)26-37-25-23-30-8-2-1-3-9-30;3-2(4,5)1(6)7/h1-3,8-9,13-16,18-21,29,35,37-38H,4-7,10-12,17,22-28H2;(H,6,7)
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| InChIKey |
XCSVIJWATWKWDK-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