General Information of the Compound
| Compound ID |
CP0214619
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| Compound Name |
1-{3-[(4-Isopropylphenyl)sulfonyl]-1H-indazol-5-yl}piperidin-4-amine
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| Structure |
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| Formula |
C21H26N4O2S
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| Molecular Weight |
398.532
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| Canonical SMILES |
CC(C)c1ccc(cc1)S(=O)(=O)c1n[nH]c2ccc(cc12)N1CCC(N)CC1
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| InChI |
InChI=1S/C21H26N4O2S/c1-14(2)15-3-6-18(7-4-15)28(26,27)21-19-13-17(5-8-20(19)23-24-21)25-11-9-16(22)10-12-25/h3-8,13-14,16H,9-12,22H2,1-2H3,(H,23,24)
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| InChIKey |
CVYWFPZSGMNWAR-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