General Information of the Compound
| Compound ID |
CP0407583
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| Compound Name |
US10047103, 273
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| Structure |
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| Formula |
C29H32N6O4S
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| Molecular Weight |
560.68
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| Canonical SMILES |
COc1cc(OCc2csc(n2)N2CCC(CC2)N2CCOCC2)c2cc(oc2c1)-c1cn2nc(C)ccc2n1
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| InChI |
InChI=1S/C29H32N6O4S/c1-19-3-4-28-31-24(16-35(28)32-19)27-15-23-25(13-22(36-2)14-26(23)39-27)38-17-20-18-40-29(30-20)34-7-5-21(6-8-34)33-9-11-37-12-10-33/h3-4,13-16,18,21H,5-12,17H2,1-2H3
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| InChIKey |
KEFMZFKILVHXLH-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