General Information of the Compound
| Compound ID |
CP0561366
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| Compound Name |
US9169240, 2
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| Structure |
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| Formula |
C20H13N5O4S
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| Molecular Weight |
419.422
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| Canonical SMILES |
O=C(c1nnc(CC2NC(=O)NC2=O)o1)c1nc2ccc(cc2s1)-c1ccccc1
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| InChI |
InChI=1S/C20H13N5O4S/c26-16(18-25-24-15(29-18)9-13-17(27)23-20(28)22-13)19-21-12-7-6-11(8-14(12)30-19)10-4-2-1-3-5-10/h1-8,13H,9H2,(H2,22,23,27,28)
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| InChIKey |
VLKPTFRBXUSPRJ-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