General Information of the Compound
| Compound ID |
CP0427375
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| Compound Name |
(8S)-N-methyl-N-[[(3R)-2-methyl-5-(4-methylpiperazin-1-yl)-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
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| Structure |
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| Formula |
C26H37N5
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| Molecular Weight |
419.617
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| Canonical SMILES |
CN(C[C@H]1Cc2c(CN1C)cccc2N1CCN(C)CC1)[C@H]1CCCc2cccnc12
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| InChI |
InChI=1S/C26H37N5/c1-28-13-15-31(16-14-28)24-10-5-8-21-18-29(2)22(17-23(21)24)19-30(3)25-11-4-7-20-9-6-12-27-26(20)25/h5-6,8-10,12,22,25H,4,7,11,13-19H2,1-3H3/t22-,25+/m1/s1
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| InChIKey |
ZMLOIDIAUZDVQK-RDGATRHJSA-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