General Information of the Compound
Compound ID |
CP0486549
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Compound Name |
1-{1-[3-((S)-2-Methoxymethyl-pyrrolidin-1-yl)-propyl]-1H-indazol-5-yl}-3-(4-phenoxy-phenyl)-urea
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Structure |
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Formula |
C29H33N5O3
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Molecular Weight |
499.615
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Canonical SMILES |
COC[C@@H]1CCCN1CCCn1ncc2cc(NC(=O)Nc3ccc(Oc4ccccc4)cc3)ccc12
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InChI |
InChI=1S/C29H33N5O3/c1-36-21-25-7-5-16-33(25)17-6-18-34-28-15-12-24(19-22(28)20-30-34)32-29(35)31-23-10-13-27(14-11-23)37-26-8-3-2-4-9-26/h2-4,8-15,19-20,25H,5-7,16-18,21H2,1H3,(H2,31,32,35)/t25-/m0/s1
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InChIKey |
NQPPFMMJLSFGCB-VWLOTQADSA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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