General Information of the Compound
| Compound ID |
CP0318937
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| Compound Name |
US9238644, 24
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| Structure |
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| Formula |
C29H34ClN5O3
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| Molecular Weight |
536.076
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| Canonical SMILES |
CC(NC(=O)OC(C)(C)C)c1ccc(Nc2ncc(Cl)c(CCc3ccccc3C3(CC3)C(N)=O)n2)cc1
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| InChI |
InChI=1S/C29H34ClN5O3/c1-18(33-27(37)38-28(2,3)4)19-9-12-21(13-10-19)34-26-32-17-23(30)24(35-26)14-11-20-7-5-6-8-22(20)29(15-16-29)25(31)36/h5-10,12-13,17-18H,11,14-16H2,1-4H3,(H2,31,36)(H,33,37)(H,32,34,35)
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| InChIKey |
YOOZCWNOLYRGFW-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