General Information of the Compound
| Compound ID |
CP0385236
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| Compound Name |
US10047103, 231
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| Structure |
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| Formula |
C26H21N5O3S
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| Molecular Weight |
483.553
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| Canonical SMILES |
COc1cc(OCc2csc(n2)-c2ccc(C)nc2)c2cc(oc2c1)-c1cn2nc(C)ccc2n1
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| InChI |
InChI=1S/C26H21N5O3S/c1-15-4-6-17(11-27-15)26-28-18(14-35-26)13-33-22-8-19(32-3)9-23-20(22)10-24(34-23)21-12-31-25(29-21)7-5-16(2)30-31/h4-12,14H,13H2,1-3H3
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| InChIKey |
TXGFRMDTRAHSLG-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