General Information of the Compound
| Compound ID |
CP0137455
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| Compound Name |
(8S)-N-[[(3R)-5-[(3R)-3-(dimethylamino)pyrrolidin-1-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 |
C26H37N5
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| Molecular Weight |
419.617
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| Canonical SMILES |
CN(C)[C@@H]1CCN(C1)c1cccc2CN[C@@H](CN(C)[C@H]3CCCc4cccnc34)Cc12
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| InChI |
InChI=1S/C26H37N5/c1-29(2)22-12-14-31(18-22)24-10-5-8-20-16-28-21(15-23(20)24)17-30(3)25-11-4-7-19-9-6-13-27-26(19)25/h5-6,8-10,13,21-22,25,28H,4,7,11-12,14-18H2,1-3H3/t21-,22-,25+/m1/s1
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| InChIKey |
ADYXBCCUUZUBGE-RQTOMXEWSA-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