General Information of the Compound
| Compound ID |
CP0383352
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| Compound Name |
4-{(7-Hydroxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-[3-(4-phenyl-piperazin-1-yl)-propyl]-amino}-butyronitrile
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| Structure |
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| Formula |
C27H36N4O
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| Molecular Weight |
432.612
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| Canonical SMILES |
Oc1ccc2CCC(Cc2c1)N(CCCC#N)CCCN1CCN(CC1)c1ccccc1
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| InChI |
InChI=1S/C27H36N4O/c28-13-4-5-15-30(26-11-9-23-10-12-27(32)22-24(23)21-26)16-6-14-29-17-19-31(20-18-29)25-7-2-1-3-8-25/h1-3,7-8,10,12,22,26,32H,4-6,9,11,14-21H2
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| InChIKey |
OSAUGWDHZYWLTI-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