General Information of the Compound
| Compound ID |
CP0402706
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| Compound Name |
(-)-(S)-N6-Propyl-N6-(2-(4-(4-(pyridin-4-yl)phenyl)piperazin-1-yl)-ethyl)-4,5,6,7-tetrahydrobenzo[d]-thiazole-2,6-diamine
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| Structure |
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| Formula |
C27H36N6S
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| Molecular Weight |
476.694
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| Canonical SMILES |
CCCN(CCN1CCN(CC1)c1ccc(cc1)-c1ccncc1)[C@H]1CCc2nc(N)sc2C1
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| InChI |
InChI=1S/C27H36N6S/c1-2-13-32(24-7-8-25-26(20-24)34-27(28)30-25)17-14-31-15-18-33(19-16-31)23-5-3-21(4-6-23)22-9-11-29-12-10-22/h3-6,9-12,24H,2,7-8,13-20H2,1H3,(H2,28,30)/t24-/m0/s1
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| InChIKey |
HQVGADXQHMROOB-DEOSSOPVSA-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