General Information of the Compound
| Compound ID |
CP0567856
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| Compound Name |
(1S,14E)-14-ethylidene-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4,6,8-tetraene
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| Structure |
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| Formula |
C16H18N2
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| Molecular Weight |
238.334
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| Canonical SMILES |
C\C=C1\CN2CC[C@@H]1c1[nH]c3ccccc3c1C2
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| InChI |
InChI=1S/C16H18N2/c1-2-11-9-18-8-7-12(11)16-14(10-18)13-5-3-4-6-15(13)17-16/h2-6,12,17H,7-10H2,1H3/b11-2-/t12-/m0/s1
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| InChIKey |
KPAGATCVJBDCOS-RENATIMJSA-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