General Information of the Compound
| Compound ID |
CP0513262
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| Compound Name |
3-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-N-(3-cyclopropyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2,6-difluorobenzamide
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| Structure |
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| Formula |
C27H22F2N6O2
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| Molecular Weight |
500.509
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| Canonical SMILES |
CC(C)(C#N)c1cccc(c1)C(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(C4CC4)c3c2)c1F
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| InChI |
InChI=1S/C27H22F2N6O2/c1-27(2,13-30)16-5-3-4-15(10-16)25(36)33-20-9-8-19(28)21(22(20)29)26(37)32-17-11-18-23(14-6-7-14)34-35-24(18)31-12-17/h3-5,8-12,14H,6-7H2,1-2H3,(H,32,37)(H,33,36)(H,31,34,35)
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| InChIKey |
MPCHYONBCBSBOD-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