General Information of the Compound
| Compound ID |
CP0562126
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| Compound Name |
1-[2-(4-Phenoxy-phenyl)-ethyl]-3-[1-(2-pyrrolidin-1-yl-ethyl)-1H-indazol-5-yl]-urea
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| Structure |
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| Formula |
C28H31N5O2
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| Molecular Weight |
469.589
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| Canonical SMILES |
O=C(NCCc1ccc(Oc2ccccc2)cc1)Nc1ccc2n(CCN3CCCC3)ncc2c1
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| InChI |
InChI=1S/C28H31N5O2/c34-28(29-15-14-22-8-11-26(12-9-22)35-25-6-2-1-3-7-25)31-24-10-13-27-23(20-24)21-30-33(27)19-18-32-16-4-5-17-32/h1-3,6-13,20-21H,4-5,14-19H2,(H2,29,31,34)
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| InChIKey |
AMTYGMJDBHQSJT-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