General Information of the Compound
| Compound ID |
CP0543796
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| Compound Name |
US10047103, 263
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| Structure |
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| Formula |
C29H27N7O3S
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| Molecular Weight |
553.648
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| Canonical SMILES |
COc1cc(OCc2csc(n2)N2CCN(CC2)c2ccccn2)c2cc(oc2c1)-c1cn2nc(C)ccc2n1
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| InChI |
InChI=1S/C29H27N7O3S/c1-19-6-7-28-32-23(16-36(28)33-19)26-15-22-24(13-21(37-2)14-25(22)39-26)38-17-20-18-40-29(31-20)35-11-9-34(10-12-35)27-5-3-4-8-30-27/h3-8,13-16,18H,9-12,17H2,1-2H3
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| InChIKey |
QPGMNRIILRXNKH-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