General Information of the Compound
| Compound ID |
CP0126531
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| Compound Name |
US10865208, Compound I-172
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| Structure |
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| Formula |
C12H18N6O5S2
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| Molecular Weight |
390.447
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| Canonical SMILES |
CCSc1nn([C@H]2C[C@H](O)[C@@H](COS(N)(=O)=O)O2)c2ncnc(N)c12
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| InChI |
InChI=1S/C12H18N6O5S2/c1-2-24-12-9-10(13)15-5-16-11(9)18(17-12)8-3-6(19)7(23-8)4-22-25(14,20)21/h5-8,19H,2-4H2,1H3,(H2,13,15,16)(H2,14,20,21)/t6-,7+,8+/m0/s1
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| InChIKey |
BCXBJKSUTZHZCN-XLPZGREQSA-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
Protein ID: PT04268, Ubiquitin-like modifier-activating enzyme ATG7
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000959 | NCI-H1650 | Homo sapiens (Human) | 1 |
| 1 |
EC50 > 50000 nM
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TI
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LO
TS
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