General Information of the Compound
| Compound ID |
CP0901812
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| Compound Name |
(S)-(-)-6-((2-(4-(3'-Hydroxybiphenyl-4-yl)piperazin-1-yl)ethyl)-(propyl)amino)-5,6,7,8-tetrahydronaphthalen-1-ol
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| Structure |
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| Formula |
C31H39N3O2
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| Molecular Weight |
485.672
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| Canonical SMILES |
CCCN(CCN1CCN(c2ccc(-c3cccc(O)c3)cc2)CC1)[C@H]1CCc2c(O)cccc2C1
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| InChI |
InChI=1S/C31H39N3O2/c1-2-15-33(28-13-14-30-26(22-28)6-4-8-31(30)36)19-16-32-17-20-34(21-18-32)27-11-9-24(10-12-27)25-5-3-7-29(35)23-25/h3-12,23,28,35-36H,2,13-22H2,1H3/t28-/m0/s1
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| InChIKey |
NZNVZUJZWZCRSP-NDEPHWFRSA-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