General Information of the Compound
| Compound ID |
CP0490953
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| Compound Name |
N-[(2-methoxyphenyl)methyl]-2-[3-[(pyrrolidin-3-ylamino)methyl]phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
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| Structure |
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| Formula |
C24H26F3N5O2
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| Molecular Weight |
473.499
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| Canonical SMILES |
COc1ccccc1CNC(=O)c1cc(nn1-c1cccc(CNC2CCNC2)c1)C(F)(F)F
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| InChI |
InChI=1S/C24H26F3N5O2/c1-34-21-8-3-2-6-17(21)14-30-23(33)20-12-22(24(25,26)27)31-32(20)19-7-4-5-16(11-19)13-29-18-9-10-28-15-18/h2-8,11-12,18,28-29H,9-10,13-15H2,1H3,(H,30,33)
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| InChIKey |
MTFSICMATXENLK-UHFFFAOYSA-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