General Information of the Compound
| Compound ID |
CP0557014
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| Compound Name |
US9169240, 41
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| Structure |
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| Formula |
C26H17N5O4S
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| Molecular Weight |
495.52
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| Canonical SMILES |
O=C(c1nnc(CC2NC(=O)N(C2=O)c2ccccc2)o1)c1nc2ccc(cc2s1)-c1ccccc1
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| InChI |
InChI=1S/C26H17N5O4S/c32-22(24-27-18-12-11-16(13-20(18)36-24)15-7-3-1-4-8-15)23-30-29-21(35-23)14-19-25(33)31(26(34)28-19)17-9-5-2-6-10-17/h1-13,19H,14H2,(H,28,34)
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| InChIKey |
ZHXPBKNSAKDCAS-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