General Information of the Compound
| Compound ID |
CP0376420
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| Compound Name |
N-[4-[(4aR,10bR)-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl]butyl]-4-phenylbenzamide
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| Structure |
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| Formula |
C30H34N2O
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| Molecular Weight |
438.615
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| Canonical SMILES |
O=C(NCCCCN1CCC[C@H]2[C@H]1CCc1ccccc21)c1ccc(cc1)-c1ccccc1
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| InChI |
InChI=1S/C30H34N2O/c33-30(26-16-14-24(15-17-26)23-9-2-1-3-10-23)31-20-6-7-21-32-22-8-13-28-27-12-5-4-11-25(27)18-19-29(28)32/h1-5,9-12,14-17,28-29H,6-8,13,18-22H2,(H,31,33)/t28-,29-/m1/s1
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| InChIKey |
OPJTVMKUVYOWNC-FQLXRVMXSA-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor