General Information of the Compound
| Compound ID |
CP0431702
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| Compound Name |
CHEMBL87753
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| Formula |
C29H32N4O2
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| Molecular Weight |
468.601
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| Canonical SMILES |
Oc1ccc2ccc(cc2n1)C(=O)N[C@H]1CC[C@H](CCN2CCc3ccc(cc3CC2)C#N)CC1
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| InChI |
InChI=1S/C29H32N4O2/c30-19-21-1-4-22-12-15-33(16-13-24(22)17-21)14-11-20-2-8-26(9-3-20)31-29(35)25-6-5-23-7-10-28(34)32-27(23)18-25/h1,4-7,10,17-18,20,26H,2-3,8-9,11-16H2,(H,31,35)(H,32,34)/t20-,26-
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| InChIKey |
GHSGRKSMXSWZPH-AEEMYVKYSA-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