General Information of the Compound
| Compound ID |
CP0501025
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| Compound Name |
US10047103, 259
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| Structure |
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| Formula |
C26H27N5O3S
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| Molecular Weight |
489.601
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| Canonical SMILES |
COc1cc(OCc2csc(n2)N2CCC(C)CC2)c2cc(oc2c1)-c1cn2nc(C)ccc2n1
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| InChI |
InChI=1S/C26H27N5O3S/c1-16-6-8-30(9-7-16)26-27-18(15-35-26)14-33-22-10-19(32-3)11-23-20(22)12-24(34-23)21-13-31-25(28-21)5-4-17(2)29-31/h4-5,10-13,15-16H,6-9,14H2,1-3H3
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| InChIKey |
NYSSUVSKYVREHT-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