General Information of the Compound
| Compound ID |
CP0535449
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| Compound Name |
US11001561, Compound 109
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| Structure |
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| Formula |
C25H25Cl2FN4O
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| Molecular Weight |
487.406
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| Canonical SMILES |
Cc1nc(N2CCC3(Cc4ccccc4[C@H]3N)CC2)c(C)c(=O)n1-c1ccc(F)c(Cl)c1Cl
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| InChI |
InChI=1S/C25H25Cl2FN4O/c1-14-23(30-15(2)32(24(14)33)19-8-7-18(28)20(26)21(19)27)31-11-9-25(10-12-31)13-16-5-3-4-6-17(16)22(25)29/h3-8,22H,9-13,29H2,1-2H3/t22-/m1/s1
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| InChIKey |
CGPFRFGMVKUJHR-JOCHJYFZSA-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