General Information of the Compound
| Compound ID |
CP0428701
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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-(tetrahydro-2H-pyran-4-yloxy)phenyl)urea
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| Structure |
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| Formula |
C27H39N3O3
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| Molecular Weight |
453.627
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| Canonical SMILES |
CC1(C)[C@@H]2C[C@H]1C(CN1CCC(CC1)NC(=O)Nc1cccc(OC3CCOCC3)c1)=CC2
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| InChI |
InChI=1S/C27H39N3O3/c1-27(2)20-7-6-19(25(27)16-20)18-30-12-8-21(9-13-30)28-26(31)29-22-4-3-5-24(17-22)33-23-10-14-32-15-11-23/h3-6,17,20-21,23,25H,7-16,18H2,1-2H3,(H2,28,29,31)/t20-,25-/m0/s1
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| InChIKey |
COPKTYBSUOGVHB-CPJSRVTESA-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