General Information of the Compound
| Compound ID |
CP0545912
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| Compound Name |
US9266877, 163
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| Structure |
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| Formula |
C36H38N6O3S
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| Molecular Weight |
634.806
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| Canonical SMILES |
CC1N(CCc2cccc(C(=O)Nc3nc4ccccc4s3)c12)c1ccc(-c2cnn(CC3(C)CCCCC3)c2C)c(n1)C(O)=O
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| InChI |
InChI=1S/C36H38N6O3S/c1-22-27(20-37-42(22)21-36(3)17-7-4-8-18-36)25-14-15-30(39-32(25)34(44)45)41-19-16-24-10-9-11-26(31(24)23(41)2)33(43)40-35-38-28-12-5-6-13-29(28)46-35/h5-6,9-15,20,23H,4,7-8,16-19,21H2,1-3H3,(H,44,45)(H,38,40,43)
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| InChIKey |
DBTVIWQUZGEFFG-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