General Information of the Compound
| Compound ID |
CP0486727
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| Compound Name |
US11001561, Compound 110
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| Structure |
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| Formula |
C26H28ClFN4O
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| Molecular Weight |
466.988
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| Canonical SMILES |
Cc1nc(N2CCC3(Cc4ccccc4[C@H]3N)CC2)c(C)c(=O)n1-c1ccc(F)c(C)c1Cl
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| InChI |
InChI=1S/C26H28ClFN4O/c1-15-20(28)8-9-21(22(15)27)32-17(3)30-24(16(2)25(32)33)31-12-10-26(11-13-31)14-18-6-4-5-7-19(18)23(26)29/h4-9,23H,10-14,29H2,1-3H3/t23-/m1/s1
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| InChIKey |
BYKSWQDZGGRHMR-HSZRJFAPSA-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