General Information of the Compound
| Compound ID |
CP0540988
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| Compound Name |
US9266877, 182
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| Structure |
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| Formula |
C44H42N6O3S
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| Molecular Weight |
734.926
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| Canonical SMILES |
OC(=O)c1nc(ccc1-c1cccc(N2CCCC2C23CC4CC(CC(C4)C2)C3)c1C#N)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
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| InChI |
InChI=1S/C44H42N6O3S/c45-24-33-30(7-4-10-36(33)50-16-5-12-38(50)44-21-26-18-27(22-44)20-28(19-26)23-44)31-13-14-39(47-40(31)42(52)53)49-17-15-29-6-3-8-32(34(29)25-49)41(51)48-43-46-35-9-1-2-11-37(35)54-43/h1-4,6-11,13-14,26-28,38H,5,12,15-23,25H2,(H,52,53)(H,46,48,51)
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| InChIKey |
BUTLYSQOBKRKIW-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