General Information of the Compound
| Compound ID |
CP0420172
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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-phenylurea
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| Structure |
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| Formula |
C22H31N3O
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| Molecular Weight |
353.51
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| Canonical SMILES |
CC1(C)[C@@H]2C[C@H]1C(CN1CCC(CC1)NC(=O)Nc1ccccc1)=CC2
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| InChI |
InChI=1S/C22H31N3O/c1-22(2)17-9-8-16(20(22)14-17)15-25-12-10-19(11-13-25)24-21(26)23-18-6-4-3-5-7-18/h3-8,17,19-20H,9-15H2,1-2H3,(H2,23,24,26)/t17-,20-/m0/s1
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| InChIKey |
RFWUZOGUYXWHNY-PXNSSMCTSA-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