General Information of the Compound
| Compound ID |
CP0574253
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| Compound Name |
1-benzhydryl-4-[4-(5-phenyltetrazol-1-yl)butyl]piperazine
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| Structure |
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| Formula |
C28H32N6
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| Molecular Weight |
452.606
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| Canonical SMILES |
C(CCn1nnnc1-c1ccccc1)CN1CCN(CC1)C(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C28H32N6/c1-4-12-24(13-5-1)27(25-14-6-2-7-15-25)33-22-20-32(21-23-33)18-10-11-19-34-28(29-30-31-34)26-16-8-3-9-17-26/h1-9,12-17,27H,10-11,18-23H2
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| InChIKey |
KQWXBVOQMYQBBP-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