General Information of the Compound
| Compound ID |
CP0396578
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| Compound Name |
1,6-Dimethylcabergoline
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| Structure |
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| Formula |
C25H37N5O2
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| Molecular Weight |
439.604
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| Canonical SMILES |
CCNC(=O)N(CCCN(C)C)C(=O)[C@@H]1C[C@H]2[C@@H](Cc3cn(C)c4cccc2c34)N(C)C1
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| InChI |
InChI=1S/C25H37N5O2/c1-6-26-25(32)30(12-8-11-27(2)3)24(31)18-13-20-19-9-7-10-21-23(19)17(15-28(21)4)14-22(20)29(5)16-18/h7,9-10,15,18,20,22H,6,8,11-14,16H2,1-5H3,(H,26,32)/t18-,20-,22-/m1/s1
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| InChIKey |
OQPYDZQJBICVMH-SYYKKAFVSA-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: PT01019, 5-hydroxytryptamine receptor 2B
Protein ID: PT01005, D(2) dopamine receptor