General Information of the Compound
| Compound ID |
CP0384907
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| Compound Name |
CHEMBL86032
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| Formula |
C28H32N4O3
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| Molecular Weight |
472.589
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| Canonical SMILES |
O=C(N[C@H]1CC[C@H](CCN2CCc3ccc(cc3CC2)C#N)CC1)c1ccc2OCC(=O)Nc2c1
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| InChI |
InChI=1S/C28H32N4O3/c29-17-20-1-4-21-10-13-32(14-11-22(21)15-20)12-9-19-2-6-24(7-3-19)30-28(34)23-5-8-26-25(16-23)31-27(33)18-35-26/h1,4-5,8,15-16,19,24H,2-3,6-7,9-14,18H2,(H,30,34)(H,31,33)/t19-,24-
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| InChIKey |
GPTQQMCUGXMPIE-OGAOHHHESA-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