General Information of the Compound
Compound ID |
CP0081135
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Compound Name |
4-[4-[5-ethyl-3-(trifluoromethyl)pyrazol-1-yl]-6-(1H-indol-4-yl)-1,3,5-triazin-2-yl]morpholine
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Structure |
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Formula |
C21H20F3N7O
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Molecular Weight |
443.433
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Canonical SMILES |
CCc1cc(nn1-c1nc(nc(n1)-c1cccc2[nH]ccc12)N1CCOCC1)C(F)(F)F
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InChI |
InChI=1S/C21H20F3N7O/c1-2-13-12-17(21(22,23)24)29-31(13)20-27-18(15-4-3-5-16-14(15)6-7-25-16)26-19(28-20)30-8-10-32-11-9-30/h3-7,12,25H,2,8-11H2,1H3
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InChIKey |
CIOQQBODAJMFKD-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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ChEMBL ID |