General Information of the Compound
| Compound ID |
CP0567807
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| Compound Name |
US9108947, 14
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| Structure |
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| Formula |
C22H23N3O5S
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| Molecular Weight |
441.509
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| Canonical SMILES |
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CC(CNS(=O)(=O)c2ccc(cc2)[N+]#[C-])C1
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| InChI |
InChI=1S/C22H23N3O5S/c1-14-18(7-8-19-20(14)13-30-22(19)27)21(26)12-25-10-15(11-25)9-24-31(28,29)17-5-3-16(23-2)4-6-17/h3-8,15,21,24,26H,9-13H2,1H3/t21-/m0/s1
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| InChIKey |
IGGBBXHLIDODCK-NRFANRHFSA-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