General Information of the Compound
| Compound ID |
CP0509918
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| Compound Name |
(1S,3R)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
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| Structure |
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| Formula |
C18H25NO3
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| Molecular Weight |
303.402
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| Canonical SMILES |
COc1cc(CNC(=O)[C@H]2[C@@H](C=C(C)C)C2(C)C)ccc1O
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| InChI |
InChI=1S/C18H25NO3/c1-11(2)8-13-16(18(13,3)4)17(21)19-10-12-6-7-14(20)15(9-12)22-5/h6-9,13,16,20H,10H2,1-5H3,(H,19,21)/t13-,16-/m1/s1
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| InChIKey |
AIWKJRHLRUDIQV-CZUORRHYSA-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