General Information of the Compound
| Compound ID |
CP0462399
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| Compound Name |
1-[1-[1-[2-(difluoromethyl)-4-methoxyphenyl]-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]imidazolidin-2-one
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| Structure |
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| Formula |
C22H22F2N6O2
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| Molecular Weight |
440.454
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| Canonical SMILES |
COc1ccc(N2CCc3c2nc(C)cc3-n2ccc(n2)N2CCNC2=O)c(c1)C(F)F
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| InChI |
InChI=1S/C22H22F2N6O2/c1-13-11-18(30-9-6-19(27-30)29-10-7-25-22(29)31)15-5-8-28(21(15)26-13)17-4-3-14(32-2)12-16(17)20(23)24/h3-4,6,9,11-12,20H,5,7-8,10H2,1-2H3,(H,25,31)
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| InChIKey |
YKAASRYYLYOVIW-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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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound