General Information of the Compound
| Compound ID |
CP0948149
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| Compound Name |
N-(1-(4-(3-(3-((6,7-Dimethoxyquinolin-4-yl)oxy)phenyl)-ureido)-2-(trifluoromethyl)phenyl)piperidin-4-yl)-1-ethylpiperidine-4-carboxamide
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| Structure |
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| Formula |
C38H43F3N6O5
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| Molecular Weight |
720.793
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| Canonical SMILES |
CCN1CCC(C(=O)NC2CCN(c3ccc(NC(=O)Nc4cccc(Oc5ccnc6cc(OC)c(OC)cc56)c4)cc3C(F)(F)F)CC2)CC1
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| InChI |
InChI=1S/C38H43F3N6O5/c1-4-46-16-11-24(12-17-46)36(48)43-25-13-18-47(19-14-25)32-9-8-27(21-30(32)38(39,40)41)45-37(49)44-26-6-5-7-28(20-26)52-33-10-15-42-31-23-35(51-3)34(50-2)22-29(31)33/h5-10,15,20-25H,4,11-14,16-19H2,1-3H3,(H,43,48)(H2,44,45,49)
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| InChIKey |
PYVHBDGMTLRXRP-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