General Information of the Compound
| Compound ID |
CP0457220
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| Compound Name |
N-methyl-1-[3-[3-[4-[[(1R)-1-phenylethyl]amino]piperidin-1-yl]propyl]-1H-indol-5-yl]methanesulfonamide
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| Structure |
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| Formula |
C26H36N4O2S
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| Molecular Weight |
468.667
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| Canonical SMILES |
CNS(=O)(=O)Cc1ccc2[nH]cc(CCCN3CCC(CC3)N[C@H](C)c3ccccc3)c2c1
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| InChI |
InChI=1S/C26H36N4O2S/c1-20(22-7-4-3-5-8-22)29-24-12-15-30(16-13-24)14-6-9-23-18-28-26-11-10-21(17-25(23)26)19-33(31,32)27-2/h3-5,7-8,10-11,17-18,20,24,27-29H,6,9,12-16,19H2,1-2H3/t20-/m1/s1
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| InChIKey |
YOVRNMNYANWSRR-HXUWFJFHSA-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: PT01202, 5-hydroxytryptamine receptor 1B
Protein ID: PT00827, 5-hydroxytryptamine receptor 1D