General Information of the Compound
| Compound ID |
CP0133230
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| Compound Name |
6-[2-[4-[2-[4-(tetrazol-1-yl)phenyl]acetyl]piperazin-1-yl]ethyl]-3,4-dihydroisochromen-1-one
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| Structure |
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| Formula |
C24H26N6O3
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| Molecular Weight |
446.511
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| Canonical SMILES |
O=C(Cc1ccc(cc1)-n1cnnn1)N1CCN(CCc2ccc3C(=O)OCCc3c2)CC1
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| InChI |
InChI=1S/C24H26N6O3/c31-23(16-18-1-4-21(5-2-18)30-17-25-26-27-30)29-12-10-28(11-13-29)9-7-19-3-6-22-20(15-19)8-14-33-24(22)32/h1-6,15,17H,7-14,16H2
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| InChIKey |
UTGNVKDQKQTRCO-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