General Information of the Compound
| Compound ID |
CP0471975
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| Compound Name |
1-(3-fluorophenyl)-3-[4-[2-[[(2S)-2-hydroxy-3-(1H-indol-4-yloxy)propyl]amino]ethyl]phenyl]urea
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| Structure |
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| Formula |
C26H27FN4O3
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| Molecular Weight |
462.525
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| Canonical SMILES |
O[C@@H](CNCCc1ccc(NC(=O)Nc2cccc(F)c2)cc1)COc1cccc2[nH]ccc12
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| InChI |
InChI=1S/C26H27FN4O3/c27-19-3-1-4-21(15-19)31-26(33)30-20-9-7-18(8-10-20)11-13-28-16-22(32)17-34-25-6-2-5-24-23(25)12-14-29-24/h1-10,12,14-15,22,28-29,32H,11,13,16-17H2,(H2,30,31,33)/t22-/m0/s1
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| InChIKey |
GOGPMXAWUCUBQP-QFIPXVFZSA-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