General Information of the Compound
| Compound ID |
CP0527282
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| Compound Name |
US9216968, 132
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| Structure |
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| Formula |
C29H25ClF3N5O3
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| Molecular Weight |
583.998
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| Canonical SMILES |
Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]c(CC(=O)N3CCCC3)nc12
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| InChI |
InChI=1S/C29H25ClF3N5O3/c1-16-21(30)9-6-10-22(16)36-28(41)19-13-17(34-27(40)18-7-2-3-8-20(18)29(31,32)33)14-23-26(19)37-24(35-23)15-25(39)38-11-4-5-12-38/h2-3,6-10,13-14H,4-5,11-12,15H2,1H3,(H,34,40)(H,35,37)(H,36,41)
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| InChIKey |
JYLGRFWVZKBITC-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