General Information of the Compound
| Compound ID |
CP0968881
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| Compound Name |
5-[(1S,1aS,6aR)-1-(6-Trifluoromethyl-1H-benzoimidazol-2-yl)-1a,6a-dihydro-1H-6-oxa-cyclopropa[a]inden-3-yloxy]-3,4-dihydro-1H-[1,8]naphthyridin-2-one
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| Structure |
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| Formula |
C25H17F3N4O3
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| Molecular Weight |
478.43
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| Canonical SMILES |
O=C1CCc2c(Oc3ccc4c(c3)[C@H]3[C@@H](O4)[C@@H]3c3nc4ccc(C(F)(F)F)cc4[nH]3)ccnc2N1
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| InChI |
InChI=1S/C25H17F3N4O3/c26-25(27,28)11-1-4-15-16(9-11)31-24(30-15)21-20-14-10-12(2-5-17(14)35-22(20)21)34-18-7-8-29-23-13(18)3-6-19(33)32-23/h1-2,4-5,7-10,20-22H,3,6H2,(H,30,31)(H,29,32,33)/t20-,21-,22-/m1/s1
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| InChIKey |
NGFFVZQXSRKHBM-YPAWHYETSA-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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Table of Molecular Bioactivities Related to the Compound