General Information of the Compound
| Compound ID |
CP0404934
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| Compound Name |
2-amino-N-[2-[[(3R)-1-[(4-ethylphenyl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-5-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C23H27F3N4O2
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| Molecular Weight |
448.489
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| Canonical SMILES |
CCc1ccc(CN2CC[C@H](C2)NC(=O)CNC(=O)c2cc(ccc2N)C(F)(F)F)cc1
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| InChI |
InChI=1S/C23H27F3N4O2/c1-2-15-3-5-16(6-4-15)13-30-10-9-18(14-30)29-21(31)12-28-22(32)19-11-17(23(24,25)26)7-8-20(19)27/h3-8,11,18H,2,9-10,12-14,27H2,1H3,(H,28,32)(H,29,31)/t18-/m1/s1
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| InChIKey |
SWSMNILBFGVKAL-GOSISDBHSA-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