General Information of the Compound
| Compound ID |
CP0553353
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| Compound Name |
6-(2-fluoro-6-methoxyphenyl)-1-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridine
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| Formula |
C22H22FN7O
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| Molecular Weight |
419.464
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| Canonical SMILES |
COc1cccc(F)c1-c1cc2n(ncc2cn1)-c1ccnc(n1)N1CCN(C)CC1
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| InChI |
InChI=1S/C22H22FN7O/c1-28-8-10-29(11-9-28)22-24-7-6-20(27-22)30-18-12-17(25-13-15(18)14-26-30)21-16(23)4-3-5-19(21)31-2/h3-7,12-14H,8-11H2,1-2H3
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| InChIKey |
SKCMADAWBUPYHW-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