General Information of the Compound
| Compound ID |
CP0926572
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| Compound Name |
N-(4'-Aminomethyl-biphenyl-4-ylmethyl)-3-cyclopentyl-N-(2-dimethylamino-ethyl)-propionamide TFA
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| Structure |
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| Formula |
C28H38F3N3O3
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| Molecular Weight |
521.624
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| Canonical SMILES |
CN(C)CCN(Cc1ccc(-c2ccc(CN)cc2)cc1)C(=O)CCC1CCCC1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C26H37N3O.C2HF3O2/c1-28(2)17-18-29(26(30)16-11-21-5-3-4-6-21)20-23-9-14-25(15-10-23)24-12-7-22(19-27)8-13-24;3-2(4,5)1(6)7/h7-10,12-15,21H,3-6,11,16-20,27H2,1-2H3;(H,6,7)
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| InChIKey |
IPIVYFSZBUTXST-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