General Information of the Compound
| Compound ID |
CP0377602
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| Compound Name |
N-[2-[(7-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-[3-(4-phenylpiperazin-1-yl)propyl]amino]ethyl]benzamide
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| Structure |
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| Formula |
C32H40N4O2
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| Molecular Weight |
512.698
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| Canonical SMILES |
Oc1ccc2CCC(Cc2c1)N(CCCN1CCN(CC1)c1ccccc1)CCNC(=O)c1ccccc1
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| InChI |
InChI=1S/C32H40N4O2/c37-31-15-13-26-12-14-30(24-28(26)25-31)35(19-16-33-32(38)27-8-3-1-4-9-27)18-7-17-34-20-22-36(23-21-34)29-10-5-2-6-11-29/h1-6,8-11,13,15,25,30,37H,7,12,14,16-24H2,(H,33,38)
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| InChIKey |
RVFWCLJRIRUOIQ-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