General Information of the Compound
| Compound ID |
CP0493284
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| Compound Name |
US9139585, 14
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| Structure |
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| Formula |
C24H26N6O5S
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| Molecular Weight |
510.576
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| Canonical SMILES |
Cc1cc(ccc1-n1cnnn1)S(=O)(=O)N1C[C@@H]2C[C@H]1CN2C[C@H](O)c1ccc2C(=O)OCc2c1C
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| InChI |
InChI=1S/C24H26N6O5S/c1-14-7-18(3-6-22(14)29-13-25-26-27-29)36(33,34)30-10-16-8-17(30)9-28(16)11-23(31)19-4-5-20-21(15(19)2)12-35-24(20)32/h3-7,13,16-17,23,31H,8-12H2,1-2H3/t16-,17-,23-/m0/s1
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| InChIKey |
KNSFCUPEKGBOAJ-QQMNAOGKSA-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