General Information of the Compound
| Compound ID |
CP0887627
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| Compound Name |
(S)-N-((1H-benzo[d]thiazol-2yl)methyl)-N-(3-(piperazine-1yl)propyl)-5,6,7,8-tetrahydroquinolin-8-amine
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| Structure |
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| Formula |
C24H31N5S
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| Molecular Weight |
421.614
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| Canonical SMILES |
c1cnc2c(c1)CCC[C@@H]2N(CCCN1CCNCC1)Cc1nc2ccccc2s1
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| InChI |
InChI=1S/C24H31N5S/c1-2-10-22-20(8-1)27-23(30-22)18-29(15-5-14-28-16-12-25-13-17-28)21-9-3-6-19-7-4-11-26-24(19)21/h1-2,4,7-8,10-11,21,25H,3,5-6,9,12-18H2/t21-/m0/s1
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| InChIKey |
CLSOYTXEDRIKTJ-NRFANRHFSA-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