General Information of the Compound
| Compound ID |
CP0540129
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| Compound Name |
[(4aR,10bR)-4-[4-[(4-phenylbenzoyl)amino]butyl]-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-7-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)Oc1cccc2[C@H]3CCCN(CCCCNC(=O)c4ccc(cc4)-c4ccccc4)[C@@H]3CCc12
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| InChI |
InChI=1S/C31H36N2O4S/c1-38(35,36)37-30-13-7-11-26-27-12-8-22-33(29(27)19-18-28(26)30)21-6-5-20-32-31(34)25-16-14-24(15-17-25)23-9-3-2-4-10-23/h2-4,7,9-11,13-17,27,29H,5-6,8,12,18-22H2,1H3,(H,32,34)/t27-,29-/m1/s1
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| InChIKey |
PRDRZXROMYANHC-XRKRLSELSA-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