General Information of the Compound
| Compound ID |
CP0557204
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| Compound Name |
2-methyl-4-(4-methylpiperazin-1-yl)-6-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]pyrimidine-5-carbonitrile
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| Structure |
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| Formula |
C22H29N7
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| Molecular Weight |
391.523
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| Canonical SMILES |
CN(Cc1nc(C)nc(N2CCN(C)CC2)c1C#N)C1CCCc2cccnc12
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| InChI |
InChI=1S/C22H29N7/c1-16-25-19(18(14-23)22(26-16)29-12-10-27(2)11-13-29)15-28(3)20-8-4-6-17-7-5-9-24-21(17)20/h5,7,9,20H,4,6,8,10-13,15H2,1-3H3
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| InChIKey |
RKLDEVPLRSVCRG-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