General Information of the Compound
| Compound ID |
CP0501070
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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-(tetrahydrofuran-3-yloxy)phenyl)urea
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| Structure |
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| Formula |
C26H37N3O3
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| Molecular Weight |
439.6
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| Canonical SMILES |
CC1(C)[C@@H]2C[C@H]1C(CN1CCC(CC1)NC(=O)Nc1cccc(OC3CCOC3)c1)=CC2
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| InChI |
InChI=1S/C26H37N3O3/c1-26(2)19-7-6-18(24(26)14-19)16-29-11-8-20(9-12-29)27-25(30)28-21-4-3-5-22(15-21)32-23-10-13-31-17-23/h3-6,15,19-20,23-24H,7-14,16-17H2,1-2H3,(H2,27,28,30)/t19-,23?,24-/m0/s1
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| InChIKey |
CAVVRABXRIPBJE-IUFWLTQMSA-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