General Information of the Compound
| Compound ID |
CP0576172
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| Compound Name |
US9150546, I-240
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| Structure |
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| Formula |
C25H22Cl2N4O3
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| Molecular Weight |
497.382
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| Canonical SMILES |
CC(C)n1c(=O)nc(Nc2ccc(Oc3ccccc3)c(Cl)c2)n(Cc2ccc(Cl)cc2)c1=O
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| InChI |
InChI=1S/C25H22Cl2N4O3/c1-16(2)31-24(32)29-23(30(25(31)33)15-17-8-10-18(26)11-9-17)28-19-12-13-22(21(27)14-19)34-20-6-4-3-5-7-20/h3-14,16H,15H2,1-2H3,(H,28,29,32)
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| InChIKey |
NFSZOFAKVQXYIY-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