General Information of the Compound
| Compound ID |
CP0454411
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| Compound Name |
(+/-)-N-(3-(4-(2-methoxyphenyl)piperazin-1-yl)propyl)-N-(3-(N-propylnoraporphin-11-yloxy)-propyl)methanesulfonamide
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| Structure |
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| Formula |
C37H50N4O4S
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| Molecular Weight |
646.898
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| Canonical SMILES |
CCCN1CCc2cccc-3c2C1Cc1cccc(OCCCN(CCCN2CCN(CC2)c2ccccc2OC)S(C)(=O)=O)c-31
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| InChI |
InChI=1S/C37H50N4O4S/c1-4-18-39-22-17-29-11-7-13-31-36(29)33(39)28-30-12-8-16-35(37(30)31)45-27-10-21-41(46(3,42)43)20-9-19-38-23-25-40(26-24-38)32-14-5-6-15-34(32)44-2/h5-8,11-16,33H,4,9-10,17-28H2,1-3H3
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| InChIKey |
JRVSGBSKZMZOOC-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor