General Information of the Compound
| Compound ID |
CP0197596
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| Compound Name |
1-[4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]ethanone
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| Structure |
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| Formula |
C24H24ClN7O2
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| Molecular Weight |
477.956
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| Canonical SMILES |
COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1cnc2ccccn12)N1CCN(CC1)C(C)=O
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| InChI |
InChI=1S/C24H24ClN7O2/c1-16(33)30-9-11-31(12-10-30)17-6-7-19(21(13-17)34-2)28-24-27-14-18(25)23(29-24)20-15-26-22-5-3-4-8-32(20)22/h3-8,13-15H,9-12H2,1-2H3,(H,27,28,29)
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| InChIKey |
ZNLCRBCFRLCIFE-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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