General Information of the Compound
| Compound ID |
CP0384351
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| Compound Name |
7-[(2-(4-phenylpiperazin-1-yl)ethyl)(2-(thiophen-2-yl)ethyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol
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| Structure |
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| Formula |
C28H35N3OS
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| Molecular Weight |
461.675
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| Canonical SMILES |
Oc1ccc2CCC(Cc2c1)N(CCN1CCN(CC1)c1ccccc1)CCc1cccs1
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| InChI |
InChI=1S/C28H35N3OS/c32-27-11-9-23-8-10-26(21-24(23)22-27)30(13-12-28-7-4-20-33-28)17-14-29-15-18-31(19-16-29)25-5-2-1-3-6-25/h1-7,9,11,20,22,26,32H,8,10,12-19,21H2
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| InChIKey |
KNYXBOOAPFHWMJ-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor