General Information of the Compound
| Compound ID |
CP0144924
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| Compound Name |
(8S)-N-[[(3R)-5-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
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| Structure |
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| Formula |
C27H37N5
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| Molecular Weight |
431.628
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| Canonical SMILES |
CN(C[C@H]1Cc2c(CN1)cccc2N1CCN2CCC[C@H]2C1)[C@H]1CCCc2cccnc12
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| InChI |
InChI=1S/C27H37N5/c1-30(26-11-2-6-20-8-4-12-28-27(20)26)18-22-16-24-21(17-29-22)7-3-10-25(24)32-15-14-31-13-5-9-23(31)19-32/h3-4,7-8,10,12,22-23,26,29H,2,5-6,9,11,13-19H2,1H3/t22-,23+,26+/m1/s1
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| InChIKey |
QQPRUHDPQBQAIQ-UMFSSWHCSA-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