General Information of the Compound
| Compound ID |
CP0431048
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| Compound Name |
1-(4-Phenoxy-phenyl)-3-[1-(2-pyrrolidin-1-yl-ethyl)-1H-indazol-4-yl]-urea
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| Structure |
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| Formula |
C26H27N5O2
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| Molecular Weight |
441.535
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| Canonical SMILES |
O=C(Nc1ccc(Oc2ccccc2)cc1)Nc1cccc2n(CCN3CCCC3)ncc12
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| InChI |
InChI=1S/C26H27N5O2/c32-26(28-20-11-13-22(14-12-20)33-21-7-2-1-3-8-21)29-24-9-6-10-25-23(24)19-27-31(25)18-17-30-15-4-5-16-30/h1-3,6-14,19H,4-5,15-18H2,(H2,28,29,32)
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| InChIKey |
MIDCAWMZEJAYFN-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