General Information of the Compound
| Compound ID |
CP0439674
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| Compound Name |
1-{4-[4-(1-Naphthyl)piperazin-1-yl]butyl}-1,3-dihydro-2H-indol-2-one
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| Structure |
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| Formula |
C26H29N3O
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| Molecular Weight |
399.538
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| Canonical SMILES |
O=C1Cc2ccccc2N1CCCCN1CCN(CC1)c1cccc2ccccc12
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| InChI |
InChI=1S/C26H29N3O/c30-26-20-22-9-2-4-12-24(22)29(26)15-6-5-14-27-16-18-28(19-17-27)25-13-7-10-21-8-1-3-11-23(21)25/h1-4,7-13H,5-6,14-20H2
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| InChIKey |
AVIKDFLJIFWPHU-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: PT00941, 5-hydroxytryptamine receptor 7