General Information of the Compound
| Compound ID |
CP0449000
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| Compound Name |
CP 122288
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| Synonyms |
5-(Methylaminosulfonylmethyl)-3-[1-methylpyrrolidin-2(R)-ylmethyl]-1H-indole
CP-122288
N-Methyl-3-[1-methylpyrrolidin-2(R)-ylmethyl]-1H-indol-5-ylmethylsulfonamide
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| Structure |
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| Formula |
C16H23N3O2S
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| Molecular Weight |
321.446
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| Canonical SMILES |
CN[S](=O)(=O)Cc1ccc2[nH]cc(C[C@H]3CCCN3C)c2c1
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| InChI |
InChI=1S/C16H23N3O2S/c1-17-22(20,21)11-12-5-6-16-15(8-12)13(10-18-16)9-14-4-3-7-19(14)2/h5-6,8,10,14,17-18H,3-4,7,9,11H2,1-2H3/t14-/m1/s1
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| InChIKey |
BWQZTHPHLITOOZ-CQSZACIVSA-N
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| CAS |
143321-74-8
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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
Clinical Information about the Compound