General Information of the Compound
| Compound ID |
CP0768026
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| Compound Name |
[(1S,2R,4S,5R)-5-(3-Methyl-6-oxo-1,2,7-triaza-2,7-dihydroinden-4-yl)-2-norbornanyl]acetonitrile
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| Structure |
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| Formula |
C16H18N4O
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| Molecular Weight |
282.347
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| Canonical SMILES |
Cc1[nH]nc2[nH]c(=O)cc([C@@H]3C[C@@H]4C[C@H]3C[C@@H]4CC#N)c12
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| InChI |
InChI=1S/C16H18N4O/c1-8-15-13(7-14(21)18-16(15)20-19-8)12-6-10-5-11(12)4-9(10)2-3-17/h7,9-12H,2,4-6H2,1H3,(H2,18,19,20,21)/t9-,10-,11+,12+/m0/s1
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| InChIKey |
KGKZRAAHCZTDQA-NNYUYHANSA-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