General Information of the Compound
| Compound ID |
CP0464892
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| Compound Name |
US9216968, 191
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| Structure |
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| Formula |
C26H24Cl3N5O3
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| Molecular Weight |
560.869
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| Canonical SMILES |
Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2cc(Cl)ccc2Cl)cc2[nH]c(NCC(C)(C)O)nc12
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| InChI |
InChI=1S/C26H24Cl3N5O3/c1-13-18(28)5-4-6-20(13)32-24(36)17-10-15(31-23(35)16-9-14(27)7-8-19(16)29)11-21-22(17)34-25(33-21)30-12-26(2,3)37/h4-11,37H,12H2,1-3H3,(H,31,35)(H,32,36)(H2,30,33,34)
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| InChIKey |
QPPUBRLSSFBZBV-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