General Information of the Compound
| Compound ID |
CP0485901
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| Compound Name |
N-[2-[[(3R)-1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C22H24F3N3O2
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| Molecular Weight |
419.447
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| Canonical SMILES |
Cc1cccc(CN2CC[C@H](C2)NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)c1
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| InChI |
InChI=1S/C22H24F3N3O2/c1-15-4-2-5-16(10-15)13-28-9-8-19(14-28)27-20(29)12-26-21(30)17-6-3-7-18(11-17)22(23,24)25/h2-7,10-11,19H,8-9,12-14H2,1H3,(H,26,30)(H,27,29)/t19-/m1/s1
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| InChIKey |
MKKLBHVHDWYDPU-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