General Information of the Compound
| Compound ID |
CP0243253
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| Compound Name |
US10239843, Example 178
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| Structure |
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| Formula |
C20H21N5O4S
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| Molecular Weight |
427.486
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| Canonical SMILES |
Cn1cc(Cn2c(=O)n(CC#C)c3ccc(cc3c2=O)S(=O)(=O)NC2(C)CC2)cn1
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| InChI |
InChI=1S/C20H21N5O4S/c1-4-9-24-17-6-5-15(30(28,29)22-20(2)7-8-20)10-16(17)18(26)25(19(24)27)13-14-11-21-23(3)12-14/h1,5-6,10-12,22H,7-9,13H2,2-3H3
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| InChIKey |
CCQHYZNLSUTPDF-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