General Information of the Compound
| Compound ID |
CP0546274
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| Compound Name |
US10047103, 258
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| Structure |
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| Formula |
C24H23N5O3S2
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| Molecular Weight |
493.614
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| Canonical SMILES |
COc1cc(OCc2csc(n2)N2CCSCC2)c2cc(oc2c1)-c1cn2nc(C)ccc2n1
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| InChI |
InChI=1S/C24H23N5O3S2/c1-15-3-4-23-26-19(12-29(23)27-15)22-11-18-20(9-17(30-2)10-21(18)32-22)31-13-16-14-34-24(25-16)28-5-7-33-8-6-28/h3-4,9-12,14H,5-8,13H2,1-2H3
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| InChIKey |
NDKCBLNZBSRGIG-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