General Information of the Compound
| Compound ID |
CP0020942
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| Compound Name |
N-[3-[3-(3-chloro-4-methoxyphenyl)-4-pyridin-4-ylpyrazol-1-yl]phenyl]-3-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C29H20ClF3N4O2
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| Molecular Weight |
548.952
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| Canonical SMILES |
COc1ccc(cc1Cl)-c1nn(cc1-c1ccncc1)-c1cccc(NC(=O)c2cccc(c2)C(F)(F)F)c1
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| InChI |
InChI=1S/C29H20ClF3N4O2/c1-39-26-9-8-19(15-25(26)30)27-24(18-10-12-34-13-11-18)17-37(36-27)23-7-3-6-22(16-23)35-28(38)20-4-2-5-21(14-20)29(31,32)33/h2-17H,1H3,(H,35,38)
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| InChIKey |
VFOKXQSPITZZJM-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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