General Information of the Compound
| Compound ID |
CP0523921
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| Compound Name |
US9266877, 157
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| Structure |
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| Formula |
C37H40N6O4S
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| Molecular Weight |
664.832
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| Canonical SMILES |
COC1(Cn2ncc(c2C)-c2ccc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)CCCC(C)(C)C1
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| InChI |
InChI=1S/C37H40N6O4S/c1-23-27(19-38-43(23)22-37(47-4)17-8-16-36(2,3)21-37)25-13-14-31(40-32(25)34(45)46)42-18-15-24-9-7-10-26(28(24)20-42)33(44)41-35-39-29-11-5-6-12-30(29)48-35/h5-7,9-14,19H,8,15-18,20-22H2,1-4H3,(H,45,46)(H,39,41,44)
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| InChIKey |
PCJOKOQMKUYYRS-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