General Information of the Compound
| Compound ID |
CP0578741
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| Compound Name |
(8S)-N-methyl-N-[[2-methyl-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrimidin-4-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
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| Structure |
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| Formula |
C26H39N7
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| Molecular Weight |
449.647
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| Canonical SMILES |
CN(Cc1cc(nc(C)n1)N1CCC(CC1)N1CCN(C)CC1)[C@H]1CCCc2cccnc12
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| InChI |
InChI=1S/C26H39N7/c1-20-28-22(19-31(3)24-8-4-6-21-7-5-11-27-26(21)24)18-25(29-20)33-12-9-23(10-13-33)32-16-14-30(2)15-17-32/h5,7,11,18,23-24H,4,6,8-10,12-17,19H2,1-3H3/t24-/m0/s1
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| InChIKey |
BGUZRQSQAVIFOT-DEOSSOPVSA-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