General Information of the Compound
| Compound ID |
CP0506693
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| Compound Name |
US9193726, 34
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| Structure |
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| Formula |
C23H20ClF3N4O3
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| Molecular Weight |
492.885
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| Canonical SMILES |
Cc1cn(cn1)-c1ccc2C(=O)N(CCn2c1=O)[C@@H]1CC[C@H]1Oc1ccc(Cl)cc1C(F)(F)F
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| InChI |
InChI=1S/C23H20ClF3N4O3/c1-13-11-29(12-28-13)17-3-4-18-22(33)30(8-9-31(18)21(17)32)16-5-7-20(16)34-19-6-2-14(24)10-15(19)23(25,26)27/h2-4,6,10-12,16,20H,5,7-9H2,1H3/t16-,20-/m1/s1
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| InChIKey |
LPHFIOPKEQTQGS-OXQOHEQNSA-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