General Information of the Compound
| Compound ID |
CP0062984
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| Compound Name |
1-{3-[(5-Chloro-1-naphthyl)sulfonyl]-1H-indazol-5-yl}piperidin-4-amine
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| Structure |
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| Formula |
C22H21ClN4O2S
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| Molecular Weight |
440.956
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| Canonical SMILES |
NC1CCN(CC1)c1ccc2[nH]nc(c2c1)S(=O)(=O)c1cccc2c(Cl)cccc12
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| InChI |
InChI=1S/C22H21ClN4O2S/c23-19-5-1-4-17-16(19)3-2-6-21(17)30(28,29)22-18-13-15(7-8-20(18)25-26-22)27-11-9-14(24)10-12-27/h1-8,13-14H,9-12,24H2,(H,25,26)
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| InChIKey |
LTWJNOFKAYZXFU-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: PT01019, 5-hydroxytryptamine receptor 2B
Protein ID: PT01354, 5-hydroxytryptamine receptor 6