General Information of the Compound
| Compound ID |
CP0444448
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| Compound Name |
1-(1-(((1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl)piperidin-4-yl)-3-(3-methoxyphenyl)urea
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| Structure |
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| Formula |
C23H33N3O2
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| Molecular Weight |
383.536
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| Canonical SMILES |
COc1cccc(NC(=O)NC2CCN(CC3=CC[C@H]4C[C@@H]3C4(C)C)CC2)c1
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| InChI |
InChI=1S/C23H33N3O2/c1-23(2)17-8-7-16(21(23)13-17)15-26-11-9-18(10-12-26)24-22(27)25-19-5-4-6-20(14-19)28-3/h4-7,14,17-18,21H,8-13,15H2,1-3H3,(H2,24,25,27)/t17-,21-/m0/s1
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| InChIKey |
GEFRHLMDDVXALD-UWJYYQICSA-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