General Information of the Compound
| Compound ID |
CP0579038
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| Compound Name |
N-(cyclopropylmethyl)-N-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
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| Structure |
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| Formula |
C24H34N6
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| Molecular Weight |
406.578
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| Canonical SMILES |
CN1CCN(CC1)c1cc(CN(CC2CC2)C2CCCc3cccnc23)nc(C)n1
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| InChI |
InChI=1S/C24H34N6/c1-18-26-21(15-23(27-18)29-13-11-28(2)12-14-29)17-30(16-19-8-9-19)22-7-3-5-20-6-4-10-25-24(20)22/h4,6,10,15,19,22H,3,5,7-9,11-14,16-17H2,1-2H3
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| InChIKey |
OXWMFRRCLBJBAT-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