General Information of the Compound
| Compound ID |
CP0546861
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| Compound Name |
US9409915, 100
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| Structure |
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| Formula |
C21H22ClN5O
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| Molecular Weight |
395.894
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| Canonical SMILES |
COc1nc(cc2nc([nH]c12)-c1cnn(c1C)C(C)(C)C)-c1ccccc1Cl
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| InChI |
InChI=1S/C21H22ClN5O/c1-12-14(11-23-27(12)21(2,3)4)19-24-17-10-16(13-8-6-7-9-15(13)22)25-20(28-5)18(17)26-19/h6-11H,1-5H3,(H,24,26)
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| InChIKey |
XNZYBFIRTIRTBC-UHFFFAOYSA-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