General Information of the Compound
| Compound ID |
CP0514195
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| Compound Name |
(S)-N6-(2-(4-phenylpiperazin-1-yl)ethyl)-N6-propyl-4,5,6,7-tetrahydrobenzo[d]thiazole-2,6-diamine
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| Structure |
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| Formula |
C22H33N5S
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| Molecular Weight |
399.608
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| Canonical SMILES |
CCCN(CCN1CCN(CC1)c1ccccc1)[C@H]1CCc2nc(N)sc2C1
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| InChI |
InChI=1S/C22H33N5S/c1-2-10-26(19-8-9-20-21(17-19)28-22(23)24-20)14-11-25-12-15-27(16-13-25)18-6-4-3-5-7-18/h3-7,19H,2,8-17H2,1H3,(H2,23,24)/t19-/m0/s1
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| InChIKey |
QXKRKYHYAGPGAN-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: PT00957, D(2) dopamine receptor
Protein ID: PT01366, D(3) dopamine receptor