General Information of the Compound
| Compound ID |
CP0410544
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| Compound Name |
US8912224, 178
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| Structure |
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| Formula |
C26H22ClN3O3S
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| Molecular Weight |
492
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| Canonical SMILES |
Cc1nc(Oc2ccc3O[C@@H](CCc3c2)c2ccccc2)sc1C(=O)NCc1ccnc(Cl)c1
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| InChI |
InChI=1S/C26H22ClN3O3S/c1-16-24(25(31)29-15-17-11-12-28-23(27)13-17)34-26(30-16)32-20-8-10-22-19(14-20)7-9-21(33-22)18-5-3-2-4-6-18/h2-6,8,10-14,21H,7,9,15H2,1H3,(H,29,31)/t21-/m0/s1
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| InChIKey |
MMGLWZYFZWRXNF-NRFANRHFSA-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