General Information of the Compound
| Compound ID |
CP0404945
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| Compound Name |
N-[2-[[(3R)-1-[(4-cyanophenyl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C22H21F3N4O2
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| Molecular Weight |
430.43
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| Canonical SMILES |
FC(F)(F)c1cccc(c1)C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(cc2)C#N)C1
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| InChI |
InChI=1S/C22H21F3N4O2/c23-22(24,25)18-3-1-2-17(10-18)21(31)27-12-20(30)28-19-8-9-29(14-19)13-16-6-4-15(11-26)5-7-16/h1-7,10,19H,8-9,12-14H2,(H,27,31)(H,28,30)/t19-/m1/s1
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| InChIKey |
GHNMANZUSKEQAU-LJQANCHMSA-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