General Information of the Compound
| Compound ID |
CP0562992
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| Compound Name |
US11136336, Example 9
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| Structure |
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| Formula |
C21H19N5O6S
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| Molecular Weight |
469.479
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| Canonical SMILES |
CNC(=O)c1sc2ncn(Cc3nc(C[C@H](O)c4ccc5OCOc5c4)no3)c(=O)c2c1C
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| InChI |
InChI=1S/C21H19N5O6S/c1-10-17-20(33-18(10)19(28)22-2)23-8-26(21(17)29)7-16-24-15(25-32-16)6-12(27)11-3-4-13-14(5-11)31-9-30-13/h3-5,8,12,27H,6-7,9H2,1-2H3,(H,22,28)/t12-/m0/s1
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| InChIKey |
FOXGCOKYWRDUFO-LBPRGKRZSA-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