General Information of the Compound
| Compound ID |
CP0025247
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| Compound Name |
1-[3,5-bis(trifluoromethyl)phenyl]-3-[3-[3-(3-chloro-4-methoxyphenyl)-4-pyridin-4-ylpyrazol-1-yl]phenyl]urea
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| Structure |
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| Formula |
C30H20ClF6N5O2
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| Molecular Weight |
631.964
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| Canonical SMILES |
COc1ccc(cc1Cl)-c1nn(cc1-c1ccncc1)-c1cccc(NC(=O)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c1
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| InChI |
InChI=1S/C30H20ClF6N5O2/c1-44-26-6-5-18(11-25(26)31)27-24(17-7-9-38-10-8-17)16-42(41-27)23-4-2-3-21(15-23)39-28(43)40-22-13-19(29(32,33)34)12-20(14-22)30(35,36)37/h2-16H,1H3,(H2,39,40,43)
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| InChIKey |
XFDWYCZIKCNVGE-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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