General Information of the Compound
| Compound ID |
CP0403442
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| Compound Name |
US10047103, 140
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| Structure |
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| Formula |
C23H24N4O5S2
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| Molecular Weight |
500.602
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| Canonical SMILES |
CCC(O)(CC)c1nc(COc2cc(OC)cc3oc(cc23)-c2cn3nc(OC)sc3n2)cs1
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| InChI |
InChI=1S/C23H24N4O5S2/c1-5-23(28,6-2)20-24-13(12-33-20)11-31-17-7-14(29-3)8-18-15(17)9-19(32-18)16-10-27-21(25-16)34-22(26-27)30-4/h7-10,12,28H,5-6,11H2,1-4H3
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| InChIKey |
COCBJMZPTQYTTO-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