General Information of the Compound
| Compound ID |
CP0578181
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| Compound Name |
US9216968, 160
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| Structure |
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| Formula |
C29H27ClF3N5O4
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| Molecular Weight |
602.013
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| Canonical SMILES |
Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]c(NCC(=O)OC(C)(C)C)nc12
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| InChI |
InChI=1S/C29H27ClF3N5O4/c1-15-20(30)10-7-11-21(15)36-26(41)18-12-16(35-25(40)17-8-5-6-9-19(17)29(31,32)33)13-22-24(18)38-27(37-22)34-14-23(39)42-28(2,3)4/h5-13H,14H2,1-4H3,(H,35,40)(H,36,41)(H2,34,37,38)
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| InChIKey |
CBJCJPFHSNHFTK-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