General Information of the Compound
| Compound ID |
CP0170179
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| Compound Name |
5-chloro-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-(1H-pyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine
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| Structure |
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| Formula |
C22H22ClN7
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| Molecular Weight |
419.92
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(n2)-c2c[nH]c3cnccc23)cc1
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| InChI |
InChI=1S/C22H22ClN7/c1-29-8-10-30(11-9-29)16-4-2-15(3-5-16)27-22-26-13-19(23)21(28-22)18-12-25-20-14-24-7-6-17(18)20/h2-7,12-14,25H,8-11H2,1H3,(H,26,27,28)
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| InChIKey |
DUQLWBPQEZFAKS-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