General Information of the Compound
| Compound ID |
CP0019990
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| Compound Name |
3-(3-Chloro-5-trifluoromethyl-pyridin-2-yl)-4-[1-(3-hydroxy-propyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyrrole-2,5-dione
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| Structure |
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| Formula |
C20H14ClF3N4O3
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| Molecular Weight |
450.804
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| Canonical SMILES |
OCCCn1cc(C2=C(C(=O)NC2=O)c2ncc(cc2Cl)C(F)(F)F)c2cccnc12
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| InChI |
InChI=1S/C20H14ClF3N4O3/c21-13-7-10(20(22,23)24)8-26-16(13)15-14(18(30)27-19(15)31)12-9-28(5-2-6-29)17-11(12)3-1-4-25-17/h1,3-4,7-9,29H,2,5-6H2,(H,27,30,31)
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| InChIKey |
WFTBLYUVDBPJAV-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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