General Information of the Compound
| Compound ID |
CP0652596
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| Compound Name |
1-Isopropyl-N-[[1-[2-[(methylsulfonyl)amino]ethyl]-4-piperidinyl]methyl]-1H-indazole-3-carboxamide hydrochloride
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| Structure |
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| Formula |
C20H32ClN5O3S
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| Molecular Weight |
458.028
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| Canonical SMILES |
CC(C)n1nc(C(=O)NCC2CCN(CCNS(C)(=O)=O)CC2)c2ccccc21.Cl
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| InChI |
InChI=1S/C20H31N5O3S.ClH/c1-15(2)25-18-7-5-4-6-17(18)19(23-25)20(26)21-14-16-8-11-24(12-9-16)13-10-22-29(3,27)28;/h4-7,15-16,22H,8-14H2,1-3H3,(H,21,26);1H
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| InChIKey |
PWUGNONLYJKVEL-UHFFFAOYSA-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01307, 5-hydroxytryptamine receptor 4