General Information of the Compound
| Compound ID |
CP0430011
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| Compound Name |
CHEMBL313255
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| Formula |
C30H36N4O2
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| Molecular Weight |
484.644
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| Canonical SMILES |
CC(=O)Nc1cccc(\C=C\C(=O)N[C@H]2CC[C@H](CCN3CCc4ccc(cc4CC3)C#N)CC2)c1
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| InChI |
InChI=1S/C30H36N4O2/c1-22(35)32-29-4-2-3-24(20-29)8-12-30(36)33-28-10-6-23(7-11-28)13-16-34-17-14-26-9-5-25(21-31)19-27(26)15-18-34/h2-5,8-9,12,19-20,23,28H,6-7,10-11,13-18H2,1H3,(H,32,35)(H,33,36)/b12-8+/t23-,28-
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| InChIKey |
OFRYPJSVIVBOHV-WSABRRFESA-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