General Information of the Compound
| Compound ID |
CP0517139
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| Compound Name |
[(4aS,10bS)-4-[4-[(4-phenylbenzoyl)amino]butyl]-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-8-yl] methanesulfonate
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| Structure |
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| Formula |
C31H36N2O4S
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| Molecular Weight |
532.706
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| Canonical SMILES |
CS(=O)(=O)Oc1ccc2[C@@H]3CCCN(CCCCNC(=O)c4ccc(cc4)-c4ccccc4)[C@H]3CCc2c1
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| InChI |
InChI=1S/C31H36N2O4S/c1-38(35,36)37-27-16-17-28-26(22-27)15-18-30-29(28)10-7-21-33(30)20-6-5-19-32-31(34)25-13-11-24(12-14-25)23-8-3-2-4-9-23/h2-4,8-9,11-14,16-17,22,29-30H,5-7,10,15,18-21H2,1H3,(H,32,34)/t29-,30-/m0/s1
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| InChIKey |
QCZONXSWEXKHJH-KYJUHHDHSA-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