General Information of the Compound
| Compound ID |
CP0557799
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| Compound Name |
US11136336, Example 11
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| Structure |
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| Formula |
C20H18ClN5O4S
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| Molecular Weight |
459.915
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| Canonical SMILES |
CNC(=O)c1sc2ncn(Cc3nc(C[C@H](O)c4ccc(Cl)cc4)no3)c(=O)c2c1C
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| InChI |
InChI=1S/C20H18ClN5O4S/c1-10-16-19(31-17(10)18(28)22-2)23-9-26(20(16)29)8-15-24-14(25-30-15)7-13(27)11-3-5-12(21)6-4-11/h3-6,9,13,27H,7-8H2,1-2H3,(H,22,28)/t13-/m0/s1
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| InChIKey |
KEABNWALVFPWDZ-ZDUSSCGKSA-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