General Information of the Compound
| Compound ID |
CP0524387
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| Compound Name |
3-[[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-hydroxypropoxy]phenyl]methyl]-1-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)urea
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| Structure |
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| Formula |
C36H43F2N5O4
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| Molecular Weight |
647.767
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| Canonical SMILES |
CN1CCC(CC1)N(Cc1ccc(F)cc1)C(=O)NCc1ccc(OCC(O)CN2CCC(CC2)c2noc3cc(F)ccc23)cc1
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| InChI |
InChI=1S/C36H43F2N5O4/c1-41-16-14-30(15-17-41)43(22-26-2-6-28(37)7-3-26)36(45)39-21-25-4-9-32(10-5-25)46-24-31(44)23-42-18-12-27(13-19-42)35-33-11-8-29(38)20-34(33)47-40-35/h2-11,20,27,30-31,44H,12-19,21-24H2,1H3,(H,39,45)
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| InChIKey |
WLOAHESVHOQSEV-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