General Information of the Compound
| Compound ID |
CP0461554
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| Compound Name |
US9126947, 15
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| Structure |
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| Formula |
C26H27Cl2FN6O3
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| Molecular Weight |
561.445
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| Canonical SMILES |
C[C@@H](Oc1cc(nnc1N)C(=O)Nc1ccc(cc1)C(=O)N1CCCN(C)CC1)c1c(Cl)ccc(F)c1Cl
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| InChI |
InChI=1S/C26H27Cl2FN6O3/c1-15(22-18(27)8-9-19(29)23(22)28)38-21-14-20(32-33-24(21)30)25(36)31-17-6-4-16(5-7-17)26(37)35-11-3-10-34(2)12-13-35/h4-9,14-15H,3,10-13H2,1-2H3,(H2,30,33)(H,31,36)/t15-/m1/s1
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| InChIKey |
LTUYVIRAPJXUAH-OAHLLOKOSA-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