General Information of the Compound
| Compound ID |
CP0392555
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| Compound Name |
1-[4-[2-[[(2S)-2-hydroxy-3-(1H-indol-4-yloxy)propyl]amino]ethyl]phenyl]-3-propan-2-ylurea
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| Structure |
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| Formula |
C23H30N4O3
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| Molecular Weight |
410.518
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| Canonical SMILES |
CC(C)NC(=O)Nc1ccc(CCNC[C@H](O)COc2cccc3[nH]ccc23)cc1
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| InChI |
InChI=1S/C23H30N4O3/c1-16(2)26-23(29)27-18-8-6-17(7-9-18)10-12-24-14-19(28)15-30-22-5-3-4-21-20(22)11-13-25-21/h3-9,11,13,16,19,24-25,28H,10,12,14-15H2,1-2H3,(H2,26,27,29)/t19-/m0/s1
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| InChIKey |
YUWZQIAVNWRLLK-IBGZPJMESA-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