General Information of the Compound
| Compound ID |
CP0378102
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| Compound Name |
1-(3-{5-[3-(4-Phenoxy-phenyl)-ureido]-indazol-1-yl}-propyl)-piperidine-4-carboxylic acid amide
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| Structure |
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| Formula |
C29H32N6O3
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| Molecular Weight |
512.614
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| Canonical SMILES |
NC(=O)C1CCN(CCCn2ncc3cc(NC(=O)Nc4ccc(Oc5ccccc5)cc4)ccc23)CC1
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| InChI |
InChI=1S/C29H32N6O3/c30-28(36)21-13-17-34(18-14-21)15-4-16-35-27-12-9-24(19-22(27)20-31-35)33-29(37)32-23-7-10-26(11-8-23)38-25-5-2-1-3-6-25/h1-3,5-12,19-21H,4,13-18H2,(H2,30,36)(H2,32,33,37)
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| InChIKey |
TUWQPPDDQLRBMO-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