General Information of the Compound
| Compound ID |
CP0230975
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| Compound Name |
US10239843, Example 192
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| Structure |
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| Formula |
C20H22N6O4S
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| Molecular Weight |
442.501
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| Canonical SMILES |
Cc1cc(Cn2c3ccc(cc3c(=O)n(CC#N)c2=O)S(=O)(=O)NC2(C)CC2)n(C)n1
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| InChI |
InChI=1S/C20H22N6O4S/c1-13-10-14(24(3)22-13)12-26-17-5-4-15(31(29,30)23-20(2)6-7-20)11-16(17)18(27)25(9-8-21)19(26)28/h4-5,10-11,23H,6-7,9,12H2,1-3H3
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| InChIKey |
BNDJJMWZULZDLP-UHFFFAOYSA-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