General Information of the Compound
| Compound ID |
CP0038773
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| Compound Name |
(3R)-1-[3-(1-Naphthylsulfonyl)-1H-indazol-5-yl]pyrrolidin-3-amine
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| Structure |
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| Formula |
C21H20N4O2S
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| Molecular Weight |
392.484
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| Canonical SMILES |
N[C@@H]1CCN(C1)c1ccc2[nH]nc(c2c1)S(=O)(=O)c1cccc2ccccc12
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| InChI |
InChI=1S/C21H20N4O2S/c22-15-10-11-25(13-15)16-8-9-19-18(12-16)21(24-23-19)28(26,27)20-7-3-5-14-4-1-2-6-17(14)20/h1-9,12,15H,10-11,13,22H2,(H,23,24)/t15-/m1/s1
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| InChIKey |
OPTAOWZLDMSBKX-OAHLLOKOSA-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