General Information of the Compound
| Compound ID |
CP0368285
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| Compound Name |
(8S)-N-[[(3R)-5-[(3R,5S)-3,5-dimethylpiperazin-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 |
C[C@H]1CN(C[C@@H](C)N1)c1cccc2CN[C@@H](CN(C)[C@H]3CCCc4cccnc34)Cc12
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| InChI |
InChI=1S/C26H37N5/c1-18-15-31(16-19(2)29-18)24-10-5-8-21-14-28-22(13-23(21)24)17-30(3)25-11-4-7-20-9-6-12-27-26(20)25/h5-6,8-10,12,18-19,22,25,28-29H,4,7,11,13-17H2,1-3H3/t18-,19+,22-,25+/m1/s1
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| InChIKey |
JHHVTZUPBAYGDQ-ZHJWVTAZSA-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