General Information of the Compound
| Compound ID |
CP0117317
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| Compound Name |
(R)-2-(7-(N,2-dimethylphenylsulfonamido)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)acetic acid
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| Structure |
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| Formula |
C22H24N2O4S
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| Molecular Weight |
412.511
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| Canonical SMILES |
CN([C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1)S(=O)(=O)c1ccccc1C
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| InChI |
InChI=1S/C22H24N2O4S/c1-15-7-3-6-10-21(15)29(27,28)23(2)16-11-12-20-18(13-22(25)26)17-8-4-5-9-19(17)24(20)14-16/h3-10,16H,11-14H2,1-2H3,(H,25,26)/t16-/m1/s1
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| InChIKey |
SZUQIEBFJCOGKN-MRXNPFEDSA-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