General Information of the Compound
| Compound ID |
CP0870021
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| Compound Name |
3-chloro-5-((2R,6S)-1,7-dimethyl-3,5-dioxo-10-oxa-4-aza-tricyclo[5.2.1.02,6]dec-4-yl)-pyridine-2-carbonitrile
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| Structure |
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| Formula |
C16H14ClN3O3
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| Molecular Weight |
331.759
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| Canonical SMILES |
CC12CCC(C)(O1)[C@H]1C(=O)N(c3cnc(C#N)c(Cl)c3)C(=O)[C@H]12
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| InChI |
InChI=1S/C16H14ClN3O3/c1-15-3-4-16(2,23-15)12-11(15)13(21)20(14(12)22)8-5-9(17)10(6-18)19-7-8/h5,7,11-12H,3-4H2,1-2H3/t11-,12+,15?,16?
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| InChIKey |
VKOUOBLCMIKWHV-RJAIZQQDSA-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