General Information of the Compound
| Compound ID |
CP0573717
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| Compound Name |
US10047103, 97
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| Structure |
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| Formula |
C23H23N5O6S
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| Molecular Weight |
497.533
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3nc(oc3C)N3CCOCC3)cc(OC)cc2o1
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| InChI |
InChI=1S/C23H23N5O6S/c1-13-17(24-21(33-13)27-4-6-31-7-5-27)12-32-18-8-14(29-2)9-19-15(18)10-20(34-19)16-11-28-22(25-16)35-23(26-28)30-3/h8-11H,4-7,12H2,1-3H3
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| InChIKey |
XIRJAYIXTVGZIP-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