General Information of the Compound
| Compound ID |
CP0492088
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| Compound Name |
4-[6-methyl-4-[3-(2-oxoimidazolidin-1-yl)pyrazol-1-yl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]-3-(trifluoromethyl)benzonitrile
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| Structure |
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| Formula |
C22H18F3N7O
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| Molecular Weight |
453.428
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| Canonical SMILES |
Cc1cc(c2CCN(c2n1)c1ccc(cc1C(F)(F)F)C#N)-n1ccc(n1)N1CCNC1=O
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| InChI |
InChI=1S/C22H18F3N7O/c1-13-10-18(32-8-5-19(29-32)31-9-6-27-21(31)33)15-4-7-30(20(15)28-13)17-3-2-14(12-26)11-16(17)22(23,24)25/h2-3,5,8,10-11H,4,6-7,9H2,1H3,(H,27,33)
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| InChIKey |
XPFMBALMCILRQA-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