General Information of the Compound
| Compound ID |
CP0372857
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| Compound Name |
Bis[N-propylnoraporphin-11-O-yl]succinate
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| Structure |
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| Formula |
C42H44N2O4
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| Molecular Weight |
640.824
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| Canonical SMILES |
CCCN1CCc2cccc3-c4cc(OC(=O)CCC(=O)Oc5cccc6C[C@H]7N(CCC)CCc8cccc(c78)-c56)ccc4C[C@@H]1c23
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| InChI |
InChI=1S/C42H44N2O4/c1-3-20-43-22-18-27-8-5-11-32-34-26-31(15-14-29(34)24-35(43)40(27)32)47-38(45)16-17-39(46)48-37-13-7-10-30-25-36-41-28(19-23-44(36)21-4-2)9-6-12-33(41)42(30)37/h5-15,26,35-36H,3-4,16-25H2,1-2H3/t35-,36-/m1/s1
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| InChIKey |
BCYVFMPPKQJVKU-LQFQNGICSA-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: PT01448, 5-hydroxytryptamine receptor 1A
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01005, D(2) dopamine receptor