General Information of the Compound
| Compound ID |
CP0540564
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| Compound Name |
4-[[4-[4-propan-2-yloxy-3-(pyrazine-2-carbonylamino)phenyl]piperazin-1-yl]methyl]benzoic acid
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| Structure |
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| Formula |
C26H29N5O4
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| Molecular Weight |
475.549
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| Canonical SMILES |
CC(C)Oc1ccc(cc1NC(=O)c1cnccn1)N1CCN(Cc2ccc(cc2)C(O)=O)CC1
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| InChI |
InChI=1S/C26H29N5O4/c1-18(2)35-24-8-7-21(15-22(24)29-25(32)23-16-27-9-10-28-23)31-13-11-30(12-14-31)17-19-3-5-20(6-4-19)26(33)34/h3-10,15-16,18H,11-14,17H2,1-2H3,(H,29,32)(H,33,34)
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| InChIKey |
JBBFWASFRPAOEI-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