General Information of the Compound
| Compound ID |
CP0147410
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| Compound Name |
5-[2-[4-[2-[4-(tetrazol-1-yl)phenyl]acetyl]piperazin-1-yl]ethyl]-2,3-dihydroisoindol-1-one
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| Structure |
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| Formula |
C23H25N7O2
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| Molecular Weight |
431.5
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| Canonical SMILES |
O=C(Cc1ccc(cc1)-n1cnnn1)N1CCN(CCc2ccc3C(=O)NCc3c2)CC1
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| InChI |
InChI=1S/C23H25N7O2/c31-22(14-17-1-4-20(5-2-17)30-16-25-26-27-30)29-11-9-28(10-12-29)8-7-18-3-6-21-19(13-18)15-24-23(21)32/h1-6,13,16H,7-12,14-15H2,(H,24,32)
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| InChIKey |
WOMNJSIJJUZEHC-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