General Information of the Compound
| Compound ID |
CP0575314
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| Compound Name |
US11136336, Example 8
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| Structure |
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| Formula |
C20H17N5O6S
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| Molecular Weight |
455.452
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| Canonical SMILES |
Cc1c(sc2ncn(Cc3nc(C[C@H](O)c4ccc5OCOc5c4)no3)c(=O)c12)C(N)=O
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| InChI |
InChI=1S/C20H17N5O6S/c1-9-16-19(32-17(9)18(21)27)22-7-25(20(16)28)6-15-23-14(24-31-15)5-11(26)10-2-3-12-13(4-10)30-8-29-12/h2-4,7,11,26H,5-6,8H2,1H3,(H2,21,27)/t11-/m0/s1
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| InChIKey |
JGFBRLGZGJYISU-NSHDSACASA-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