General Information of the Compound
| Compound ID |
CP0886859
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| Compound Name |
US9216968, 127
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| Structure |
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| Formula |
C26H21Cl2FN4O3
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| Molecular Weight |
527.383
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| Canonical SMILES |
Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2c(F)cccc2Cl)cc2[nH]c([C@H]3CCCO3)nc12
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| InChI |
InChI=1S/C26H21Cl2FN4O3/c1-13-16(27)5-3-8-19(13)32-25(34)15-11-14(30-26(35)22-17(28)6-2-7-18(22)29)12-20-23(15)33-24(31-20)21-9-4-10-36-21/h2-3,5-8,11-12,21H,4,9-10H2,1H3,(H,30,35)(H,31,33)(H,32,34)/t21-/m1/s1
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| InChIKey |
ISMGOFFBISAZKB-OAQYLSRUSA-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