General Information of the Compound
| Compound ID |
CP0534366
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| Compound Name |
US11136336, Example 16
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| Structure |
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| Formula |
C18H13Cl2N5O4S
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| Molecular Weight |
466.306
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| Canonical SMILES |
NC(=O)c1sc2ncn(Cc3nc(C[C@H](O)c4ccc(Cl)cc4)no3)c(=O)c2c1Cl
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| InChI |
InChI=1S/C18H13Cl2N5O4S/c19-9-3-1-8(2-4-9)10(26)5-11-23-12(29-24-11)6-25-7-22-17-13(18(25)28)14(20)15(30-17)16(21)27/h1-4,7,10,26H,5-6H2,(H2,21,27)/t10-/m0/s1
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| InChIKey |
SOBJXYFMGNTIEM-JTQLQIEISA-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