General Information of the Compound
| Compound ID |
CP0486720
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| Compound Name |
CHEMBL4755563
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| Formula |
C27H36ClN3O
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| Molecular Weight |
454.058
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| Canonical SMILES |
C[C@H]1CN(CC[C@H]2CC[C@@H](CC2)NC(=O)N(C)c2ccccc2)CCc2ccc(Cl)cc12
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| InChI |
InChI=1S/C27H36ClN3O/c1-20-19-31(17-15-22-10-11-23(28)18-26(20)22)16-14-21-8-12-24(13-9-21)29-27(32)30(2)25-6-4-3-5-7-25/h3-7,10-11,18,20-21,24H,8-9,12-17,19H2,1-2H3,(H,29,32)/t20-,21-,24-/m0/s1
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| InChIKey |
KAXUQVAHOIHHMX-HFMPRLQTSA-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