General Information of the Compound
| Compound ID |
CP0491542
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| Compound Name |
N-[4-[(4aS,10bS)-8-hydroxy-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 |
C30H34N2O2
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| Molecular Weight |
454.614
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| Canonical SMILES |
Oc1ccc2[C@@H]3CCCN(CCCCNC(=O)c4ccc(cc4)-c4ccccc4)[C@H]3CCc2c1
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| InChI |
InChI=1S/C30H34N2O2/c33-26-15-16-27-25(21-26)14-17-29-28(27)9-6-20-32(29)19-5-4-18-31-30(34)24-12-10-23(11-13-24)22-7-2-1-3-8-22/h1-3,7-8,10-13,15-16,21,28-29,33H,4-6,9,14,17-20H2,(H,31,34)/t28-,29-/m0/s1
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| InChIKey |
XFYCKARBUDZUAB-VMPREFPWSA-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