General Information of the Compound
| Compound ID |
CP0458833
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| Compound Name |
9-Methoxy-3-phenethyl-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indole
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| Structure |
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| Formula |
C21H25NO
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| Molecular Weight |
307.437
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| Canonical SMILES |
COc1cccc2CC[C@H]3C(CCN3CCc3ccccc3)c12
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| InChI |
InChI=1S/C21H25NO/c1-23-20-9-5-8-17-10-11-19-18(21(17)20)13-15-22(19)14-12-16-6-3-2-4-7-16/h2-9,18-19H,10-15H2,1H3/t18?,19-/m0/s1
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| InChIKey |
PPFLJANGUQOHFJ-GGYWPGCISA-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: PT01005, D(2) dopamine receptor