General Information of the Compound
| Compound ID |
CP0552106
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| Compound Name |
(NE)-N-[[2-(4-tert-butylphenyl)cyclopenten-1-yl]methylidene]hydroxylamine
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| Structure |
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| Formula |
C16H21NO
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| Molecular Weight |
243.35
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)C1=C(CCC1)\C=N\O
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| InChI |
InChI=1S/C16H21NO/c1-16(2,3)14-9-7-12(8-10-14)15-6-4-5-13(15)11-17-18/h7-11,18H,4-6H2,1-3H3/b17-11+
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| InChIKey |
COFCSPZVSJMCBF-GZTJUZNOSA-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