General Information of the Compound
| Compound ID |
CP0379231
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| Compound Name |
1-[5-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]pentyl]-3H-indol-2-one
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| Structure |
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| Formula |
C22H32N2O
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| Molecular Weight |
340.511
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| Canonical SMILES |
O=C1Cc2ccccc2N1CCCCCN1CC[C@H]2CCCC[C@@H]2C1
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| InChI |
InChI=1S/C22H32N2O/c25-22-16-19-9-4-5-11-21(19)24(22)14-7-1-6-13-23-15-12-18-8-2-3-10-20(18)17-23/h4-5,9,11,18,20H,1-3,6-8,10,12-17H2/t18-,20-/m1/s1
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| InChIKey |
SROBTXJTPXDWNJ-UYAOXDASSA-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