General Information of the Compound
| Compound ID |
CP0517891
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| Compound Name |
US9169240, 86
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| Structure |
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| Formula |
C21H17N5O3S
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| Molecular Weight |
419.466
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| Canonical SMILES |
CN([C@H]1CCNC1=O)c1nnc(o1)C(=O)c1nc2ccc(cc2s1)-c1ccccc1
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| InChI |
InChI=1S/C21H17N5O3S/c1-26(15-9-10-22-18(15)28)21-25-24-19(29-21)17(27)20-23-14-8-7-13(11-16(14)30-20)12-5-3-2-4-6-12/h2-8,11,15H,9-10H2,1H3,(H,22,28)/t15-/m0/s1
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| InChIKey |
VVIYGZUHQXANCI-HNNXBMFYSA-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