General Information of the Compound
| Compound ID |
CP0546273
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| Compound Name |
US10047103, 223
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| Structure |
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| Formula |
C29H25N5O4S
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| Molecular Weight |
539.617
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| Canonical SMILES |
COc1cc(OCc2csc(n2)-c2ccc(cc2)C(=O)N(C)C)c2cc(oc2c1)-c1cn2nc(C)ccc2n1
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| InChI |
InChI=1S/C29H25N5O4S/c1-17-5-10-27-31-23(14-34(27)32-17)26-13-22-24(11-21(36-4)12-25(22)38-26)37-15-20-16-39-28(30-20)18-6-8-19(9-7-18)29(35)33(2)3/h5-14,16H,15H2,1-4H3
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| InChIKey |
OAKIEKQVVBWIGL-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