General Information of the Compound
| Compound ID |
CP0561491
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| Compound Name |
US9169240, 50
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| Structure |
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| Formula |
C21H16N4O3S
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| Molecular Weight |
404.451
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| Canonical SMILES |
O=C(Cc1nnc(o1)C(=O)c1nc2ccc(cc2s1)-c1ccccc1)NC1CC1
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| InChI |
InChI=1S/C21H16N4O3S/c26-17(22-14-7-8-14)11-18-24-25-20(28-18)19(27)21-23-15-9-6-13(10-16(15)29-21)12-4-2-1-3-5-12/h1-6,9-10,14H,7-8,11H2,(H,22,26)
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| InChIKey |
ULVXSQSIWUOVRD-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