General Information of the Compound
| Compound ID |
CP0573789
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| Compound Name |
US10047103, 236
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| Structure |
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| Formula |
C25H26N6O5S2
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| Molecular Weight |
554.654
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| Canonical SMILES |
COc1cc(OCc2csc(n2)N2CCN(CC2)S(C)(=O)=O)c2cc(oc2c1)-c1cn2nc(C)ccc2n1
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| InChI |
InChI=1S/C25H26N6O5S2/c1-16-4-5-24-27-20(13-31(24)28-16)23-12-19-21(10-18(34-2)11-22(19)36-23)35-14-17-15-37-25(26-17)29-6-8-30(9-7-29)38(3,32)33/h4-5,10-13,15H,6-9,14H2,1-3H3
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| InChIKey |
XCJTXDXMKDSVDB-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