General Information of the Compound
| Compound ID |
CP0517474
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| Compound Name |
US9067871, 30
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| Structure |
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| Formula |
C18H17ClN2
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| Molecular Weight |
296.801
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| Canonical SMILES |
NC1CCc2ccc(cc2C1Cc1ccc(Cl)cc1)C#N
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| InChI |
InChI=1S/C18H17ClN2/c19-15-6-2-12(3-7-15)9-17-16-10-13(11-20)1-4-14(16)5-8-18(17)21/h1-4,6-7,10,17-18H,5,8-9,21H2
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| InChIKey |
NTQWVXHEHNSMKT-UHFFFAOYSA-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