General Information of the Compound
| Compound ID |
CP0886860
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| Compound Name |
US9216968, 129
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| Structure |
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| Formula |
C26H21Cl3N4O3
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| Molecular Weight |
543.838
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| Canonical SMILES |
Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2cc(Cl)ccc2Cl)cc2[nH]c([C@H]3CCCO3)nc12
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| InChI |
InChI=1S/C26H21Cl3N4O3/c1-13-18(28)4-2-5-20(13)32-26(35)17-11-15(30-25(34)16-10-14(27)7-8-19(16)29)12-21-23(17)33-24(31-21)22-6-3-9-36-22/h2,4-5,7-8,10-12,22H,3,6,9H2,1H3,(H,30,34)(H,31,33)(H,32,35)/t22-/m1/s1
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| InChIKey |
DMBLYKJXIOZVHI-JOCHJYFZSA-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