General Information of the Compound
| Compound ID |
CP0547286
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| Compound Name |
US10047103, 247
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| Structure |
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| Formula |
C28H26N8O3S
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| Molecular Weight |
554.636
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| Canonical SMILES |
COc1cc(OCc2csc(n2)N2CCN(CC2)c2cnccn2)c2cc(oc2c1)-c1cn2nc(C)ccc2n1
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| InChI |
InChI=1S/C28H26N8O3S/c1-18-3-4-26-32-22(15-36(26)33-18)25-13-21-23(11-20(37-2)12-24(21)39-25)38-16-19-17-40-28(31-19)35-9-7-34(8-10-35)27-14-29-5-6-30-27/h3-6,11-15,17H,7-10,16H2,1-2H3
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| InChIKey |
JARJHZFFVTZAJG-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