General Information of the Compound
| Compound ID |
CP0497818
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| Compound Name |
US10047103, 214
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| Structure |
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| Formula |
C27H22N4O4S
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| Molecular Weight |
498.564
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| Canonical SMILES |
COc1ccc(cc1)-c1nc(COc2cc(OC)cc3oc(cc23)-c2cn3nc(C)ccc3n2)cs1
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| InChI |
InChI=1S/C27H22N4O4S/c1-16-4-9-26-29-22(13-31(26)30-16)25-12-21-23(10-20(33-3)11-24(21)35-25)34-14-18-15-36-27(28-18)17-5-7-19(32-2)8-6-17/h4-13,15H,14H2,1-3H3
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| InChIKey |
VGOHXABQGMUYJJ-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