General Information of the Compound
| Compound ID |
CP0055367
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| Compound Name |
2-chloro-N-(1-(1-methyl-1H-pyrazol-3-ylamino)-1,2-dioxopentan-3-yl)-4-(pyridin-2-ylmethoxy)-3-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C23H21ClF3N5O4
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| Molecular Weight |
523.899
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| Canonical SMILES |
CCC(NC(=O)c1ccc(OCc2ccccn2)c(c1Cl)C(F)(F)F)C(=O)C(=O)Nc1ccn(C)n1
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| InChI |
InChI=1S/C23H21ClF3N5O4/c1-3-15(20(33)22(35)30-17-9-11-32(2)31-17)29-21(34)14-7-8-16(18(19(14)24)23(25,26)27)36-12-13-6-4-5-10-28-13/h4-11,15H,3,12H2,1-2H3,(H,29,34)(H,30,31,35)
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| InChIKey |
ABGBBQLBNIVODC-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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