General Information of the Compound
| Compound ID |
CP0525708
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| Compound Name |
N-[2-[[(3R)-1-[(4-ethenylphenyl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C23H24F3N3O2
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| Molecular Weight |
431.458
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| Canonical SMILES |
FC(F)(F)c1cccc(c1)C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(C=C)cc2)C1
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| InChI |
InChI=1S/C23H24F3N3O2/c1-2-16-6-8-17(9-7-16)14-29-11-10-20(15-29)28-21(30)13-27-22(31)18-4-3-5-19(12-18)23(24,25)26/h2-9,12,20H,1,10-11,13-15H2,(H,27,31)(H,28,30)/t20-/m1/s1
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| InChIKey |
NLJBQPVHEXOMDN-HXUWFJFHSA-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