General Information of the Compound
| Compound ID |
CP0404941
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| Compound Name |
2-amino-N-[2-[[(3R)-1-[(4-hydroxyphenyl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-5-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C21H23F3N4O3
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| Molecular Weight |
436.434
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| Canonical SMILES |
Nc1ccc(cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(O)cc2)C1)C(F)(F)F
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| InChI |
InChI=1S/C21H23F3N4O3/c22-21(23,24)14-3-6-18(25)17(9-14)20(31)26-10-19(30)27-15-7-8-28(12-15)11-13-1-4-16(29)5-2-13/h1-6,9,15,29H,7-8,10-12,25H2,(H,26,31)(H,27,30)/t15-/m1/s1
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| InChIKey |
NTDUGNWTONHPJW-OAHLLOKOSA-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