General Information of the Compound
| Compound ID |
CP0550108
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| Compound Name |
US9216968, 104
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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 |
COCc1nc2c(cc(NC(=O)c3c(C)cccc3Cl)cc2[nH]1)C(=O)Nc1cccc(Cl)c1C
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| InChI |
InChI=1S/C25H22Cl2N4O3/c1-13-6-4-8-18(27)22(13)25(33)28-15-10-16(23-20(11-15)29-21(31-23)12-34-3)24(32)30-19-9-5-7-17(26)14(19)2/h4-11H,12H2,1-3H3,(H,28,33)(H,29,31)(H,30,32)
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| InChIKey |
RILRZGYWYUESFO-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