General Information of the Compound
| Compound ID |
CP0578580
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| Compound Name |
US11136336, Example 15
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| Structure |
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| Formula |
C20H16ClN5O4S
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| Molecular Weight |
457.899
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| Canonical SMILES |
O[C@@H](Cc1noc(Cn2cnc3sc4c(CCNC4=O)c3c2=O)n1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C20H16ClN5O4S/c21-11-3-1-10(2-4-11)13(27)7-14-24-15(30-25-14)8-26-9-23-19-16(20(26)29)12-5-6-22-18(28)17(12)31-19/h1-4,9,13,27H,5-8H2,(H,22,28)/t13-/m0/s1
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| InChIKey |
AGKMZNQCTOWDFF-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