General Information of the Compound
| Compound ID |
CP0454594
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| Compound Name |
N-[4-[(7-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-[3-(4-phenylpiperazin-1-yl)propyl]amino]butyl]benzamide
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| Structure |
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| Formula |
C34H44N4O2
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| Molecular Weight |
540.752
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| Canonical SMILES |
Oc1ccc2CCC(Cc2c1)N(CCCCNC(=O)c1ccccc1)CCCN1CCN(CC1)c1ccccc1
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| InChI |
InChI=1S/C34H44N4O2/c39-33-17-15-28-14-16-32(26-30(28)27-33)37(20-8-7-18-35-34(40)29-10-3-1-4-11-29)21-9-19-36-22-24-38(25-23-36)31-12-5-2-6-13-31/h1-6,10-13,15,17,27,32,39H,7-9,14,16,18-26H2,(H,35,40)
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| InChIKey |
HYAIONDADCANQM-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