General Information of the Compound
| Compound ID |
CP0408469
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| Compound Name |
N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]-2-cyanoacetamide
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| Structure |
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| Formula |
C22H17ClN6O2
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| Molecular Weight |
432.871
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| Canonical SMILES |
COc1ccc(NC(=O)CC#N)cc1Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
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| InChI |
InChI=1S/C22H17ClN6O2/c1-31-19-7-6-13(27-20(30)8-9-24)10-18(19)28-22-26-12-16(23)21(29-22)15-11-25-17-5-3-2-4-14(15)17/h2-7,10-12,25H,8H2,1H3,(H,27,30)(H,26,28,29)
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| InChIKey |
ONZWYLROLFHDPV-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