General Information of the Compound
| Compound ID |
CP0557880
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| Compound Name |
US9206164, 23
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| Structure |
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| Formula |
C24H22Cl2N4O2
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| Molecular Weight |
469.372
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| Canonical SMILES |
CCc1nn(Cc2ccc(cc2)-c2nc3cc(Cl)c(Cl)cc3[nH]2)c(C2CC2)c1CC(O)=O
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| InChI |
InChI=1S/C24H22Cl2N4O2/c1-2-19-16(9-22(31)32)23(14-7-8-14)30(29-19)12-13-3-5-15(6-4-13)24-27-20-10-17(25)18(26)11-21(20)28-24/h3-6,10-11,14H,2,7-9,12H2,1H3,(H,27,28)(H,31,32)
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| InChIKey |
LEEKSBLIWOYKOT-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