General Information of the Compound
| Compound ID |
CP0400269
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| Compound Name |
1-[7-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]heptyl]-3H-indol-2-one
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| Structure |
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| Formula |
C24H36N2O
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| Molecular Weight |
368.565
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| Canonical SMILES |
O=C1Cc2ccccc2N1CCCCCCCN1CC[C@H]2CCCC[C@@H]2C1
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| InChI |
InChI=1S/C24H36N2O/c27-24-18-21-11-6-7-13-23(21)26(24)16-9-3-1-2-8-15-25-17-14-20-10-4-5-12-22(20)19-25/h6-7,11,13,20,22H,1-5,8-10,12,14-19H2/t20-,22-/m1/s1
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| InChIKey |
BSBJKTRDMXTSGL-IFMALSPDSA-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