General Information of the Compound
| Compound ID |
CP0097451
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| Compound Name |
2-[4-[2-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxyacetyl]piperazin-1-yl]benzonitrile
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| Structure |
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| Formula |
C28H31N5O2
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| Molecular Weight |
469.589
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| Canonical SMILES |
CN1CCN(CC1)c1cccc2ccc(OCC(=O)N3CCN(CC3)c3ccccc3C#N)cc12
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| InChI |
InChI=1S/C28H31N5O2/c1-30-11-13-32(14-12-30)27-8-4-6-22-9-10-24(19-25(22)27)35-21-28(34)33-17-15-31(16-18-33)26-7-3-2-5-23(26)20-29/h2-10,19H,11-18,21H2,1H3
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| InChIKey |
NBZSOFCUUKJUJF-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT01202, 5-hydroxytryptamine receptor 1B
Protein ID: PT00827, 5-hydroxytryptamine receptor 1D