General Information of the Compound
| Compound ID |
CP0055134
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| Compound Name |
(R)-2-(7-(N,3,5-trimethylisoxazole-4-sulfonamido)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)acetic acid
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| Structure |
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| Formula |
C20H23N3O5S
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| Molecular Weight |
417.487
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| Canonical SMILES |
CN([C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1)S(=O)(=O)c1c(C)noc1C
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| InChI |
InChI=1S/C20H23N3O5S/c1-12-20(13(2)28-21-12)29(26,27)22(3)14-8-9-18-16(10-19(24)25)15-6-4-5-7-17(15)23(18)11-14/h4-7,14H,8-11H2,1-3H3,(H,24,25)/t14-/m1/s1
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| InChIKey |
VNQYFGMDDSWIQG-CQSZACIVSA-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