General Information of the Compound
| Compound ID |
CP0570625
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| Compound Name |
US9266877, 91
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| Structure |
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| Formula |
C35H32N6O3S
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| Molecular Weight |
616.747
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| Canonical SMILES |
Cc1c(cnn1CC1CC2C[C@H]1C=C2)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
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| InChI |
InChI=1S/C35H32N6O3S/c1-20-27(17-36-41(20)18-24-16-21-9-10-23(24)15-21)25-11-12-31(38-32(25)34(43)44)40-14-13-22-5-4-6-26(28(22)19-40)33(42)39-35-37-29-7-2-3-8-30(29)45-35/h2-12,17,21,23-24H,13-16,18-19H2,1H3,(H,43,44)(H,37,39,42)/t21?,23-,24?/m1/s1
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| InChIKey |
RDACNCBPXZAVNA-SHSGKGFPSA-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