General Information of the Compound
| Compound ID |
CP0499834
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| Compound Name |
US8653100, 86
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| Structure |
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| Formula |
C24H27ClN4O3S
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| Molecular Weight |
487.025
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| Canonical SMILES |
Cn1cc(cn1)S(=O)(=O)NCCOc1ccc2CCNC(c2c1)C1(CC1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C24H27ClN4O3S/c1-29-16-21(15-27-29)33(30,31)28-12-13-32-20-7-2-17-8-11-26-23(22(17)14-20)24(9-10-24)18-3-5-19(25)6-4-18/h2-7,14-16,23,26,28H,8-13H2,1H3
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| InChIKey |
DFMHXIQQNBLTKY-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