General Information of the Compound
| Compound ID |
CP0470253
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| Compound Name |
US9266877, 84
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| Structure |
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| Formula |
C35H36N6O3S
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| Molecular Weight |
620.779
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| Canonical SMILES |
CCc1c(cnn1CC1CCCCC1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
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| InChI |
InChI=1S/C35H36N6O3S/c1-2-29-26(19-36-41(29)20-22-9-4-3-5-10-22)24-15-16-31(38-32(24)34(43)44)40-18-17-23-11-8-12-25(27(23)21-40)33(42)39-35-37-28-13-6-7-14-30(28)45-35/h6-8,11-16,19,22H,2-5,9-10,17-18,20-21H2,1H3,(H,43,44)(H,37,39,42)
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| InChIKey |
UERLGZLALBYNQQ-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