General Information of the Compound
| Compound ID |
CP0571642
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| Compound Name |
3-[(2,2-dimethylchromen-6-yl)methyl]-1-[(5-fluoropyridin-2-yl)methyl]-1-(1-methylpiperidin-4-yl)urea
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| Structure |
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| Formula |
C25H31FN4O2
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| Molecular Weight |
438.547
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| Canonical SMILES |
CN1CCC(CC1)N(Cc1ccc(F)cn1)C(=O)NCc1ccc2OC(C)(C)C=Cc2c1
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| InChI |
InChI=1S/C25H31FN4O2/c1-25(2)11-8-19-14-18(4-7-23(19)32-25)15-28-24(31)30(22-9-12-29(3)13-10-22)17-21-6-5-20(26)16-27-21/h4-8,11,14,16,22H,9-10,12-13,15,17H2,1-3H3,(H,28,31)
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| InChIKey |
RZEDKDVYRYOESM-UHFFFAOYSA-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