General Information of the Compound
| Compound ID |
CP0514098
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| Compound Name |
[4-[4-[(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-propylamino]butyl]piperazin-1-yl]-(1H-indol-2-yl)methanone
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| Structure |
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| Formula |
C27H38N6OS
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| Molecular Weight |
494.709
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| Canonical SMILES |
CCCN(CCCCN1CCN(CC1)C(=O)c1cc2ccccc2[nH]1)C1CCc2nc(N)sc2C1
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| InChI |
InChI=1S/C27H38N6OS/c1-2-11-32(21-9-10-23-25(19-21)35-27(28)30-23)13-6-5-12-31-14-16-33(17-15-31)26(34)24-18-20-7-3-4-8-22(20)29-24/h3-4,7-8,18,21,29H,2,5-6,9-17,19H2,1H3,(H2,28,30)
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| InChIKey |
HFGNKYGWNOCWPA-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