General Information of the Compound
| Compound ID |
CP0505308
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| Compound Name |
1-(5-bromopyridin-3-yl)-3-(1-(((1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl)piperidin-4-yl)urea
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| Structure |
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| Formula |
C21H29BrN4O
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| Molecular Weight |
433.394
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| Canonical SMILES |
CC1(C)[C@@H]2C[C@H]1C(CN1CCC(CC1)NC(=O)Nc1cncc(Br)c1)=CC2
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| InChI |
InChI=1S/C21H29BrN4O/c1-21(2)15-4-3-14(19(21)9-15)13-26-7-5-17(6-8-26)24-20(27)25-18-10-16(22)11-23-12-18/h3,10-12,15,17,19H,4-9,13H2,1-2H3,(H2,24,25,27)/t15-,19-/m0/s1
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| InChIKey |
LAXCBTSSOZXMRF-KXBFYZLASA-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