General Information of the Compound
| Compound ID |
CP0553214
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| Compound Name |
US11001561, Compound 81b
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| Structure |
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| Formula |
C24H24Cl2N4O2
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| Molecular Weight |
471.388
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| Canonical SMILES |
Cc1nc(N2CCC3(CC2)Oc2ccccc2[C@H]3N)c(C)c(=O)n1-c1cccc(Cl)c1Cl
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| InChI |
InChI=1S/C24H24Cl2N4O2/c1-14-22(28-15(2)30(23(14)31)18-8-5-7-17(25)20(18)26)29-12-10-24(11-13-29)21(27)16-6-3-4-9-19(16)32-24/h3-9,21H,10-13,27H2,1-2H3/t21-/m1/s1
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| InChIKey |
STUGKYOHXIBHOS-OAQYLSRUSA-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