General Information of the Compound
| Compound ID |
CP0486718
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| Compound Name |
CHEMBL4762024
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| Formula |
C27H37ClN2O2
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| Molecular Weight |
457.058
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| Canonical SMILES |
C[C@H]1CN(CC[C@H]2CC[C@@H](CC2)N2C(=O)[C@H]3CCCC[C@H]3C2=O)CCc2ccc(Cl)cc12
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| InChI |
InChI=1S/C27H37ClN2O2/c1-18-17-29(15-13-20-8-9-21(28)16-25(18)20)14-12-19-6-10-22(11-7-19)30-26(31)23-4-2-3-5-24(23)27(30)32/h8-9,16,18-19,22-24H,2-7,10-15,17H2,1H3/t18-,19-,22-,23-,24+/m0/s1
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| InChIKey |
DGWVDYZYSAQNNO-IZVJSRMBSA-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor