General Information of the Compound
| Compound ID |
CP0384997
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| Compound Name |
CHEMBL85711
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| Formula |
C30H33N3O
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| Molecular Weight |
451.614
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| Canonical SMILES |
O=C(N[C@H]1CC[C@H](CCN2CCc3ccc(cc3CC2)C#N)CC1)c1cccc2ccccc12
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| InChI |
InChI=1S/C30H33N3O/c31-21-23-8-11-24-15-18-33(19-16-26(24)20-23)17-14-22-9-12-27(13-10-22)32-30(34)29-7-3-5-25-4-1-2-6-28(25)29/h1-8,11,20,22,27H,9-10,12-19H2,(H,32,34)/t22-,27-
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| InChIKey |
WNRHLKXILALELE-MGFGWZDJSA-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