General Information of the Compound
| Compound ID |
CP0466880
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| Compound Name |
N-[3-[2-[3-amino-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrazin-2-yl]imidazo[4,5-c]pyridin-1-yl]phenyl]prop-2-enamide
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| Structure |
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| Formula |
C28H28N10O
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| Molecular Weight |
520.601
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| Canonical SMILES |
CN1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-c1nc2cnccc2n1-c1cccc(NC(=O)C=C)c1
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| InChI |
InChI=1S/C28H28N10O/c1-3-25(39)33-19-5-4-6-21(13-19)38-24-7-10-30-15-23(24)35-28(38)26-27(29)31-16-22(34-26)18-14-32-37(17-18)20-8-11-36(2)12-9-20/h3-7,10,13-17,20H,1,8-9,11-12H2,2H3,(H2,29,31)(H,33,39)
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| InChIKey |
PQXSTBFGBGZRFG-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