General Information of the Compound
| Compound ID |
CP0471841
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| Compound Name |
1-[4-[2-[[(2S)-2-hydroxy-3-(1H-indol-4-yloxy)propyl]amino]ethyl]phenyl]-3-(4-methoxyphenyl)urea
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| Structure |
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| Formula |
C27H30N4O4
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| Molecular Weight |
474.561
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| Canonical SMILES |
COc1ccc(NC(=O)Nc2ccc(CCNC[C@H](O)COc3cccc4[nH]ccc34)cc2)cc1
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| InChI |
InChI=1S/C27H30N4O4/c1-34-23-11-9-21(10-12-23)31-27(33)30-20-7-5-19(6-8-20)13-15-28-17-22(32)18-35-26-4-2-3-25-24(26)14-16-29-25/h2-12,14,16,22,28-29,32H,13,15,17-18H2,1H3,(H2,30,31,33)/t22-/m0/s1
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| InChIKey |
JOKWVCOGNWIZMO-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