General Information of the Compound
| Compound ID |
CP0545325
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| Compound Name |
US11001561, Compound 3
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| Structure |
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| Formula |
C20H24Cl2N4O2
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| Molecular Weight |
423.344
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| Canonical SMILES |
C[C@@H]1OCC2(CCN(CC2)c2cc(=O)n(c(C)n2)-c2cccc(Cl)c2Cl)[C@@H]1N
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| InChI |
InChI=1S/C20H24Cl2N4O2/c1-12-19(23)20(11-28-12)6-8-25(9-7-20)16-10-17(27)26(13(2)24-16)15-5-3-4-14(21)18(15)22/h3-5,10,12,19H,6-9,11,23H2,1-2H3/t12-,19+/m0/s1
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| InChIKey |
WYUIJDCKOPRFJO-HXPMCKFVSA-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