General Information of the Compound
| Compound ID |
CP0578742
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| Compound Name |
(8S)-N-[[6-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-methylpyrimidin-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
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| Structure |
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| Formula |
C23H32N6
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| Molecular Weight |
392.551
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| Canonical SMILES |
CN(Cc1cc(nc(C)n1)N1CCN2CCC[C@H]2C1)[C@H]1CCCc2cccnc12
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| InChI |
InChI=1S/C23H32N6/c1-17-25-19(14-22(26-17)29-13-12-28-11-5-8-20(28)16-29)15-27(2)21-9-3-6-18-7-4-10-24-23(18)21/h4,7,10,14,20-21H,3,5-6,8-9,11-13,15-16H2,1-2H3/t20-,21-/m0/s1
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| InChIKey |
QDRYPHNMWBQUIU-SFTDATJTSA-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