General Information of the Compound
| Compound ID |
CP0084603
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| Compound Name |
5-[2-[4-[2-[2-cyclopropyl-4-(tetrazol-1-yl)phenyl]acetyl]piperazin-1-yl]ethyl]-3H-2-benzofuran-1-one
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| Structure |
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| Formula |
C26H28N6O3
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| Molecular Weight |
472.549
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| Canonical SMILES |
O=C(Cc1ccc(cc1C1CC1)-n1cnnn1)N1CCN(CCc2ccc3C(=O)OCc3c2)CC1
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| InChI |
InChI=1S/C26H28N6O3/c33-25(14-20-4-5-22(32-17-27-28-29-32)15-24(20)19-2-3-19)31-11-9-30(10-12-31)8-7-18-1-6-23-21(13-18)16-35-26(23)34/h1,4-6,13,15,17,19H,2-3,7-12,14,16H2
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| InChIKey |
VHNOBVZYSXQXNE-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