General Information of the Compound
| Compound ID |
CP0506464
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| Compound Name |
1-(3-{[4-(1-Naphthyl)piperazin-1-yl]methyl}benzyl)-1,3-dihydro-2H-indol-2-one
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| Structure |
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| Formula |
C30H29N3O
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| Molecular Weight |
447.582
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| Canonical SMILES |
O=C1Cc2ccccc2N1Cc1cccc(CN2CCN(CC2)c2cccc3ccccc23)c1
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| InChI |
InChI=1S/C30H29N3O/c34-30-20-26-10-2-4-13-28(26)33(30)22-24-8-5-7-23(19-24)21-31-15-17-32(18-16-31)29-14-6-11-25-9-1-3-12-27(25)29/h1-14,19H,15-18,20-22H2
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| InChIKey |
XNXNUDBDHIHMLW-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