General Information of the Compound
| Compound ID |
CP0562475
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| Compound Name |
US8969325, 10
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| Structure |
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| Formula |
C21H21ClF2N4O3
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| Molecular Weight |
450.873
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| Canonical SMILES |
CN1C(=O)NCc2c(NC(=O)N[C@@H]3C[C@@](C)(Oc4cc(Cl)ccc34)C(F)F)cccc12
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| InChI |
InChI=1S/C21H21ClF2N4O3/c1-21(18(23)24)9-15(12-7-6-11(22)8-17(12)31-21)27-19(29)26-14-4-3-5-16-13(14)10-25-20(30)28(16)2/h3-8,15,18H,9-10H2,1-2H3,(H,25,30)(H2,26,27,29)/t15-,21-/m1/s1
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| InChIKey |
DZXQXVMNKBRKOR-QVKFZJNVSA-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