General Information of the Compound
| Compound ID |
CP0403389
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| Compound Name |
7-phenylethyl-6,7,8,9,14,15-hexahydro-5H-benz[d]indolo[2,3-g]azecine
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| Structure |
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| Formula |
C27H28N2
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| Molecular Weight |
380.535
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| Canonical SMILES |
C(Cc1ccccc1)N1CCc2c(Cc3ccccc3CC1)[nH]c1ccccc21
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| InChI |
InChI=1S/C27H28N2/c1-2-8-21(9-3-1)14-17-29-18-15-22-10-4-5-11-23(22)20-27-25(16-19-29)24-12-6-7-13-26(24)28-27/h1-13,28H,14-20H2
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| InChIKey |
OWJLZZGIONWNSN-UHFFFAOYSA-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: PT01195, D(1A) dopamine receptor
Protein ID: PT01169, D(1B) dopamine receptor
Protein ID: PT01005, D(2) dopamine receptor