General Information of the Compound
| Compound ID |
CP0557015
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| Compound Name |
US9169240, 57
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| Structure |
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| Formula |
C20H14N4O4S
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| Molecular Weight |
406.423
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| Canonical SMILES |
O=C(c1nnc(N[C@H]2CCOC2=O)o1)c1nc2ccc(cc2s1)-c1ccccc1
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| InChI |
InChI=1S/C20H14N4O4S/c25-16(17-23-24-20(28-17)22-14-8-9-27-19(14)26)18-21-13-7-6-12(10-15(13)29-18)11-4-2-1-3-5-11/h1-7,10,14H,8-9H2,(H,22,24)/t14-/m0/s1
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| InChIKey |
ROIMVYPUMGKLRM-AWEZNQCLSA-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