General Information of the Compound
| Compound ID |
CP0098617
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| Compound Name |
US10865208, Compound I-219
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| Structure |
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| Formula |
C11H16N6O5S2
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| Molecular Weight |
376.42
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| Canonical SMILES |
CSc1nn([C@H]2C[C@H](O)[C@H](COS(N)(=O)=O)O2)c2ncnc(N)c12
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| InChI |
InChI=1S/C11H16N6O5S2/c1-23-11-8-9(12)14-4-15-10(8)17(16-11)7-2-5(18)6(22-7)3-21-24(13,19)20/h4-7,18H,2-3H2,1H3,(H2,12,14,15)(H2,13,19,20)/t5-,6-,7+/m0/s1
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| InChIKey |
PEIYQDSNKNROMJ-LYFYHCNISA-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
LI
LO
TS
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