General Information of the Compound
| Compound ID |
CP0382966
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| Compound Name |
N-[4-[[(1R,2R)-2-(2,3-dichlorophenyl)cyclopropyl]methyl-propylamino]butyl]-1H-indole-2-carboxamide;hydrochloride
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| Structure |
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| Formula |
C26H32Cl3N3O
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| Molecular Weight |
508.921
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| Canonical SMILES |
Cl.CCCN(CCCCNC(=O)c1cc2ccccc2[nH]1)C[C@@H]1C[C@H]1c1cccc(Cl)c1Cl
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| InChI |
InChI=1S/C26H31Cl2N3O.ClH/c1-2-13-31(17-19-15-21(19)20-9-7-10-22(27)25(20)28)14-6-5-12-29-26(32)24-16-18-8-3-4-11-23(18)30-24;/h3-4,7-11,16,19,21,30H,2,5-6,12-15,17H2,1H3,(H,29,32);1H/t19-,21+;/m0./s1
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| InChIKey |
SUJXBDJLOIDKBO-LZAGWAHOSA-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: PT00939, 5-hydroxytryptamine receptor 2C
Protein ID: PT01195, D(1A) dopamine receptor
Protein ID: PT01169, D(1B) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor