General Information of the Compound
| Compound ID |
CP0462815
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| Compound Name |
US8901315, 102
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| Structure |
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| Formula |
C20H22N4O3S
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| Molecular Weight |
398.488
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| Canonical SMILES |
COC(=O)c1ccc(NC(=O)c2cc3c(C)nn(C4CCCCC4)c3s2)cn1
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| InChI |
InChI=1S/C20H22N4O3S/c1-12-15-10-17(28-19(15)24(23-12)14-6-4-3-5-7-14)18(25)22-13-8-9-16(21-11-13)20(26)27-2/h8-11,14H,3-7H2,1-2H3,(H,22,25)
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| InChIKey |
PSYYHRPJBIKTLW-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