General Information of the Compound
| Compound ID |
CP0243254
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| Compound Name |
US10239843, Example 173
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| Structure |
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| Formula |
C23H27N7O4S
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| Molecular Weight |
497.581
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| Canonical SMILES |
Cc1cc(Cn2c3ccc(cc3c(=O)n(Cc3cnn(C)c3)c2=O)S(=O)(=O)NC2(C)CC2)n(C)n1
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| InChI |
InChI=1S/C23H27N7O4S/c1-15-9-17(28(4)25-15)14-29-20-6-5-18(35(33,34)26-23(2)7-8-23)10-19(20)21(31)30(22(29)32)13-16-11-24-27(3)12-16/h5-6,9-12,26H,7-8,13-14H2,1-4H3
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| InChIKey |
OVZCFDSZHNYEBG-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