General Information of the Compound
| Compound ID |
CP0578344
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| Compound Name |
N-[3-[1-[4-cyano-3-(trifluoromethyl)phenyl]pyrazol-3-yl]propyl]-4-nitrobenzamide
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| Structure |
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| Formula |
C21H16F3N5O3
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| Molecular Weight |
443.385
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| Canonical SMILES |
[O-][N+](=O)c1ccc(cc1)C(=O)NCCCc1ccn(n1)-c1ccc(C#N)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C21H16F3N5O3/c22-21(23,24)19-12-18(8-5-15(19)13-25)28-11-9-16(27-28)2-1-10-26-20(30)14-3-6-17(7-4-14)29(31)32/h3-9,11-12H,1-2,10H2,(H,26,30)
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| InChIKey |
SNMWPPANYYGMNB-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