General Information of the Compound
| Compound ID |
CP0402682
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| Compound Name |
(-)-(S)-N6-Propyl-N6-(2-(4-(quinolin-5-yl)piperazin-1-yl)ethyl)-4,5,6,7-tetrahydrobenzo[d]thiazole-2,6-diamine
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| Structure |
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| Formula |
C25H34N6S
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| Molecular Weight |
450.656
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| Canonical SMILES |
CCCN(CCN1CCN(CC1)c1cccc2ncccc12)[C@H]1CCc2nc(N)sc2C1
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| InChI |
InChI=1S/C25H34N6S/c1-2-11-30(19-8-9-22-24(18-19)32-25(26)28-22)15-12-29-13-16-31(17-14-29)23-7-3-6-21-20(23)5-4-10-27-21/h3-7,10,19H,2,8-9,11-18H2,1H3,(H2,26,28)/t19-/m0/s1
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| InChIKey |
JULCETCXZSSJNN-IBGZPJMESA-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
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor