General Information of the Compound
| Compound ID |
CP0410456
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| Compound Name |
3-Allyl-9-methoxy-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indole
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| Structure |
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| Formula |
C16H21NO
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| Molecular Weight |
243.35
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| Canonical SMILES |
COc1cccc2CC[C@H]3C(CCN3CC=C)c12
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| InChI |
InChI=1S/C16H21NO/c1-3-10-17-11-9-13-14(17)8-7-12-5-4-6-15(18-2)16(12)13/h3-6,13-14H,1,7-11H2,2H3/t13?,14-/m0/s1
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| InChIKey |
VRRJFCMGNMFNOE-KZUDCZAMSA-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: PT01723, 5-hydroxytryptamine receptor 1A
Protein ID: PT01005, D(2) dopamine receptor