General Information of the Compound
| Compound ID |
CP0772886
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| Compound Name |
(Z)-2(2)-fluoro-31,5-dimethyl-6-oxo-13-(trifluoromethyl)-1(1)H,2(1)H,3(1)H-5-aza-2(3,5)-pyrrolo[2,3-b]pyridina-1(4,1),3(4,3)-dipyrazolacyclononaphane-35-carbonitrile
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| Structure |
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| Formula |
C22H18F4N8O
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| Molecular Weight |
486.433
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| Canonical SMILES |
CN1Cc2nn(C)c(C#N)c2-c2cnc3[nH]c(F)c(c3c2)-c2cn(nc2C(F)(F)F)CCCC1=O
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| InChI |
InChI=1S/C22H18F4N8O/c1-32-10-14-17(15(7-27)33(2)30-14)11-6-12-18(20(23)29-21(12)28-8-11)13-9-34(5-3-4-16(32)35)31-19(13)22(24,25)26/h6,8-9H,3-5,10H2,1-2H3,(H,28,29)
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| InChIKey |
YVQOYBIBWBAHKH-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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