General Information of the Compound
| Compound ID |
CP0000949
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| Compound Name |
5-[(1S,5R)-3-azabicyclo[3.3.1]non-6-en-7-yl]pyridine-3-carbonitrile
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| Structure |
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| Formula |
C14H15N3
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| Molecular Weight |
225.295
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| Canonical SMILES |
N#Cc1cncc(c1)C1=C[C@@H]2CNC[C@@H](C2)C1
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| InChI |
InChI=1S/C14H15N3/c15-5-12-4-14(9-17-8-12)13-2-10-1-11(3-13)7-16-6-10/h2,4,8-11,16H,1,3,6-7H2/t10-,11+/m1/s1
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| InChIKey |
DEXLAAAKAUMETM-MNOVXSKESA-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