General Information of the Compound
| Compound ID |
CP0258399
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| Compound Name |
3-[5-chloro-2-[3-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]-5-methoxybenzonitrile
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| Structure |
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| Formula |
C24H25ClN6O2
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| Molecular Weight |
464.957
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| Canonical SMILES |
COc1cc(cc(c1)-c1nc(Nc2ccc(N3CCN(C)CC3)c(OC)c2)ncc1Cl)C#N
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| InChI |
InChI=1S/C24H25ClN6O2/c1-30-6-8-31(9-7-30)21-5-4-18(13-22(21)33-3)28-24-27-15-20(25)23(29-24)17-10-16(14-26)11-19(12-17)32-2/h4-5,10-13,15H,6-9H2,1-3H3,(H,27,28,29)
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| InChIKey |
LYPJJBGYRGFAOQ-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