General Information of the Compound
| Compound ID |
CP0565355
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| Compound Name |
US9796704, Entry 276
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| Structure |
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| Formula |
C24H26Cl2N4O5
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| Molecular Weight |
521.401
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| Canonical SMILES |
COC(=O)CCN1CCOC(COc2cc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3cc2OC)C1
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| InChI |
InChI=1S/C24H26Cl2N4O5/c1-32-21-10-17-20(27-14-28-24(17)29-15-3-4-18(25)19(26)9-15)11-22(21)35-13-16-12-30(7-8-34-16)6-5-23(31)33-2/h3-4,9-11,14,16H,5-8,12-13H2,1-2H3,(H,27,28,29)
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| InChIKey |
ZEIOSBCSTUSZSU-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