General Information of the Compound
| Compound ID |
CP0432772
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| Compound Name |
1-(4-phenoxyphenyl)-3-[1-(2-piperidin-1-ylethyl)indazol-5-yl]urea
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| Structure |
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| Formula |
C27H29N5O2
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| Molecular Weight |
455.562
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| Canonical SMILES |
O=C(Nc1ccc(Oc2ccccc2)cc1)Nc1ccc2n(CCN3CCCCC3)ncc2c1
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| InChI |
InChI=1S/C27H29N5O2/c33-27(29-22-9-12-25(13-10-22)34-24-7-3-1-4-8-24)30-23-11-14-26-21(19-23)20-28-32(26)18-17-31-15-5-2-6-16-31/h1,3-4,7-14,19-20H,2,5-6,15-18H2,(H2,29,30,33)
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| InChIKey |
IEUODIZTZFEFFC-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