General Information of the Compound
| Compound ID |
CP0375370
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| Compound Name |
1-[(E)-6-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]hex-3-enyl]-3H-indol-2-one
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| Structure |
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| Formula |
C23H32N2O
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| Molecular Weight |
352.522
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| Canonical SMILES |
O=C1Cc2ccccc2N1CC\C=C\CCN1CC[C@H]2CCCC[C@@H]2C1
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| InChI |
InChI=1S/C23H32N2O/c26-23-17-20-10-5-6-12-22(20)25(23)15-8-2-1-7-14-24-16-13-19-9-3-4-11-21(19)18-24/h1-2,5-6,10,12,19,21H,3-4,7-9,11,13-18H2/b2-1+/t19-,21-/m1/s1
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| InChIKey |
STLOWRIFEMHPHS-QTNQTPCRSA-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