General Information of the Compound
| Compound ID |
CP0073491
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| Compound Name |
(3R)-1-[1-(2-Methylpropyl)-3-(naphthalen-1-ylsulfonyl)-1Hindazol-5-yl]pyrrolidin-3-amine
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| Structure |
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| Formula |
C25H28N4O2S
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| Molecular Weight |
448.592
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| Canonical SMILES |
CC(C)Cn1nc(c2cc(ccc12)N1CC[C@@H](N)C1)S(=O)(=O)c1cccc2ccccc12
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| InChI |
InChI=1S/C25H28N4O2S/c1-17(2)15-29-23-11-10-20(28-13-12-19(26)16-28)14-22(23)25(27-29)32(30,31)24-9-5-7-18-6-3-4-8-21(18)24/h3-11,14,17,19H,12-13,15-16,26H2,1-2H3/t19-/m1/s1
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| InChIKey |
UGOLTQIWMDMFNL-LJQANCHMSA-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