General Information of the Compound
| Compound ID |
CP0398095
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| Compound Name |
CHEMBL3084689
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| Formula |
C14H15ClN2O
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| Molecular Weight |
262.74
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| Canonical SMILES |
O[C@@H]1C[C@@H]2CC[C@H](C1)N2c1ccc(C#N)c(Cl)c1
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| InChI |
InChI=1S/C14H15ClN2O/c15-14-7-12(2-1-9(14)8-16)17-10-3-4-11(17)6-13(18)5-10/h1-2,7,10-11,13,18H,3-6H2/t10-,11+,13+
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| InChIKey |
BHWQQOLNTHEQMF-PJXYFTJBSA-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