General Information of the Compound
| Compound ID |
CP0435907
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| Compound Name |
6-N-[2-[4-(1H-indol-5-ylmethyl)piperazin-1-yl]ethyl]-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine
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| Structure |
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| Formula |
C25H36N6S
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| Molecular Weight |
452.672
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| Canonical SMILES |
CCCN(CCN1CCN(Cc2ccc3[nH]ccc3c2)CC1)C1CCc2nc(N)sc2C1
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| InChI |
InChI=1S/C25H36N6S/c1-2-9-31(21-4-6-23-24(17-21)32-25(26)28-23)15-14-29-10-12-30(13-11-29)18-19-3-5-22-20(16-19)7-8-27-22/h3,5,7-8,16,21,27H,2,4,6,9-15,17-18H2,1H3,(H2,26,28)
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| InChIKey |
YZWDIMZALKFOTP-UHFFFAOYSA-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