General Information of the Compound
| Compound ID |
CP0516210
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| Compound Name |
US9216968, 246
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| Structure |
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| Formula |
C23H18Cl3N5O3
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| Molecular Weight |
518.788
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| Canonical SMILES |
COCc1nc2c(cc(NC(=O)c3c(Cl)cncc3Cl)cc2[nH]1)C(=O)Nc1cccc(Cl)c1C
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| InChI |
InChI=1S/C23H18Cl3N5O3/c1-11-14(24)4-3-5-17(11)30-22(32)13-6-12(7-18-21(13)31-19(29-18)10-34-2)28-23(33)20-15(25)8-27-9-16(20)26/h3-9H,10H2,1-2H3,(H,28,33)(H,29,31)(H,30,32)
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| InChIKey |
ARGSIAIHXAPVOG-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