General Information of the Compound
| Compound ID |
CP0055129
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| Compound Name |
(R)-2-(7-(N,3-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)c1cccc(C)c1
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| InChI |
InChI=1S/C22H24N2O4S/c1-15-6-5-7-17(12-15)29(27,28)23(2)16-10-11-21-19(13-22(25)26)18-8-3-4-9-20(18)24(21)14-16/h3-9,12,16H,10-11,13-14H2,1-2H3,(H,25,26)/t16-/m1/s1
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| InChIKey |
KCJLSZJRHOVMDP-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