General Information of the Compound
| Compound ID |
CP0536106
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| Compound Name |
5-(2-amino-6-phenoxyphenyl)-2-methyl-1H-pyrrole-3-carboxamide
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| Structure |
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| Formula |
C18H17N3O2
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| Molecular Weight |
307.353
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| Canonical SMILES |
Cc1[nH]c(cc1C(N)=O)-c1c(N)cccc1Oc1ccccc1
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| InChI |
InChI=1S/C18H17N3O2/c1-11-13(18(20)22)10-15(21-11)17-14(19)8-5-9-16(17)23-12-6-3-2-4-7-12/h2-10,21H,19H2,1H3,(H2,20,22)
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| InChIKey |
HMGRPWXRXLIZEW-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
Protein ID: PT01462, Bromodomain-containing protein 4
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000183 | MX-1 | Homo sapiens (Human) | 1 |
| 1 |
EC50 > 3000 nM
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TI
LI
LO
TS
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