General Information of the Compound
| Compound ID |
CP0554645
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| Compound Name |
US9126947, 16
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| Structure |
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| Formula |
C25H25Cl2FN6O3
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| Molecular Weight |
547.418
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| Canonical SMILES |
C[C@@H](Oc1cc(nnc1N)C(=O)Nc1ccc(cc1)C(=O)N1CCCNCC1)c1c(Cl)ccc(F)c1Cl
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| InChI |
InChI=1S/C25H25Cl2FN6O3/c1-14(21-17(26)7-8-18(28)22(21)27)37-20-13-19(32-33-23(20)29)24(35)31-16-5-3-15(4-6-16)25(36)34-11-2-9-30-10-12-34/h3-8,13-14,30H,2,9-12H2,1H3,(H2,29,33)(H,31,35)/t14-/m1/s1
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| InChIKey |
HEUAZMKBGLOWPW-CQSZACIVSA-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