General Information of the Compound
| Compound ID |
CP0470469
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| Compound Name |
4-(4-chlorophenyl)-N-[3-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrimidin-2-amine
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| Structure |
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| Formula |
C23H26ClN5O
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| Molecular Weight |
423.948
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| Canonical SMILES |
CN1CCN(CCOc2cccc(Nc3nccc(n3)-c3ccc(Cl)cc3)c2)CC1
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| InChI |
InChI=1S/C23H26ClN5O/c1-28-11-13-29(14-12-28)15-16-30-21-4-2-3-20(17-21)26-23-25-10-9-22(27-23)18-5-7-19(24)8-6-18/h2-10,17H,11-16H2,1H3,(H,25,26,27)
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| InChIKey |
XIJYZNBVXZTGOP-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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Table of Molecular Bioactivities Related to the Compound