General Information of the Compound
| Compound ID |
CP0459149
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| Compound Name |
1-[4-[2-[[(2S)-2-hydroxy-3-(1H-indol-4-yloxy)propyl]amino]ethyl]phenyl]-3-(2-phenylethyl)urea
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| Structure |
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| Formula |
C28H32N4O3
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| Molecular Weight |
472.589
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| Canonical SMILES |
O[C@@H](CNCCc1ccc(NC(=O)NCCc2ccccc2)cc1)COc1cccc2[nH]ccc12
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| InChI |
InChI=1S/C28H32N4O3/c33-24(20-35-27-8-4-7-26-25(27)15-18-30-26)19-29-16-13-22-9-11-23(12-10-22)32-28(34)31-17-14-21-5-2-1-3-6-21/h1-12,15,18,24,29-30,33H,13-14,16-17,19-20H2,(H2,31,32,34)/t24-/m0/s1
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| InChIKey |
AUJJTGGBJDFHAC-DEOSSOPVSA-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