General Information of the Compound
| Compound ID |
CP0132994
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| Compound Name |
US8680275, 87
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| Structure |
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| Formula |
C20H18ClFN6O
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| Molecular Weight |
412.856
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| Canonical SMILES |
Fc1ccc(c(c1)C(=O)C1CC[C@H]2CN([C@H]2C1)c1cnnc(Cl)c1)-n1nccn1
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| InChI |
InChI=1S/C20H18ClFN6O/c21-19-9-15(10-23-26-19)27-11-13-2-1-12(7-18(13)27)20(29)16-8-14(22)3-4-17(16)28-24-5-6-25-28/h3-6,8-10,12-13,18H,1-2,7,11H2/t12?,13-,18-/m0/s1
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| InChIKey |
KENWSJLXRBPRRP-UAGUUWOPSA-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