General Information of the Compound
| Compound ID |
CP0514279
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| Compound Name |
1-{1-[2-(4-Hydroxy-piperidin-1-yl)-ethyl]-1H-indazol-5-yl}-3-(4-phenoxy-phenyl)-urea
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| Structure |
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| Formula |
C27H29N5O3
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| Molecular Weight |
471.561
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| Canonical SMILES |
OC1CCN(CCn2ncc3cc(NC(=O)Nc4ccc(Oc5ccccc5)cc4)ccc23)CC1
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| InChI |
InChI=1S/C27H29N5O3/c33-23-12-14-31(15-13-23)16-17-32-26-11-8-22(18-20(26)19-28-32)30-27(34)29-21-6-9-25(10-7-21)35-24-4-2-1-3-5-24/h1-11,18-19,23,33H,12-17H2,(H2,29,30,34)
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| InChIKey |
ZDTYYPHCFHTODO-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