General Information of the Compound
| Compound ID |
CP0043596
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| Compound Name |
(3R)-1-[2-(1-Methylethyl)-3-(naphthalen-1-ylsulfonyl)-2Hindazol-5-yl]pyrrolidin-3-amine
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| Structure |
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| Formula |
C24H26N4O2S
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| Molecular Weight |
434.565
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| Canonical SMILES |
CC(C)n1nc2ccc(cc2c1S(=O)(=O)c1cccc2ccccc12)N1CC[C@@H](N)C1
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| InChI |
InChI=1S/C24H26N4O2S/c1-16(2)28-24(31(29,30)23-9-5-7-17-6-3-4-8-20(17)23)21-14-19(10-11-22(21)26-28)27-13-12-18(25)15-27/h3-11,14,16,18H,12-13,15,25H2,1-2H3/t18-/m1/s1
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| InChIKey |
ZJUNSPZQENPTOE-GOSISDBHSA-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