General Information of the Compound
| Compound ID |
CP0221823
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| Compound Name |
3-chloro-5-[5-chloro-2-[3-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]benzonitrile
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| Structure |
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| Formula |
C23H22Cl2N6O
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| Molecular Weight |
469.376
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| Canonical SMILES |
COc1cc(Nc2ncc(Cl)c(n2)-c2cc(Cl)cc(c2)C#N)ccc1N1CCN(C)CC1
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| InChI |
InChI=1S/C23H22Cl2N6O/c1-30-5-7-31(8-6-30)20-4-3-18(12-21(20)32-2)28-23-27-14-19(25)22(29-23)16-9-15(13-26)10-17(24)11-16/h3-4,9-12,14H,5-8H2,1-2H3,(H,27,28,29)
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| InChIKey |
JHSXCPVQTSCITM-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