General Information of the Compound
| Compound ID |
CP0926573
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| Compound Name |
3-Cyclopentyl-N-(2-dimethylamino-ethyl)-N-[4'-(indan-2-ylaminomethyl)-biphenyl-4-ylmethyl]-propionamide TFA
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| Structure |
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| Formula |
C37H46F3N3O3
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| Molecular Weight |
637.787
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| Canonical SMILES |
CN(C)CCN(Cc1ccc(-c2ccc(CNC3Cc4ccccc4C3)cc2)cc1)C(=O)CCC1CCCC1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C35H45N3O.C2HF3O2/c1-37(2)21-22-38(35(39)20-15-27-7-3-4-8-27)26-29-13-18-31(19-14-29)30-16-11-28(12-17-30)25-36-34-23-32-9-5-6-10-33(32)24-34;3-2(4,5)1(6)7/h5-6,9-14,16-19,27,34,36H,3-4,7-8,15,20-26H2,1-2H3;(H,6,7)
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| InChIKey |
ZLLXYZIAIDMVEV-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