General Information of the Compound
| Compound ID |
CP0295744
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| Compound Name |
1-[4-[4-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone
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| Structure |
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| Formula |
C25H25ClN6O2
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| Molecular Weight |
476.968
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| Canonical SMILES |
COc1cc(ccc1Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12)N1CCN(CC1)C(C)=O
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| InChI |
InChI=1S/C25H25ClN6O2/c1-16(33)31-9-11-32(12-10-31)17-7-8-22(23(13-17)34-2)29-25-28-15-20(26)24(30-25)19-14-27-21-6-4-3-5-18(19)21/h3-8,13-15,27H,9-12H2,1-2H3,(H,28,29,30)
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| InChIKey |
VFZGFLQJVHZUBY-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