General Information of the Compound
| Compound ID |
CP0521219
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| Compound Name |
Allyl-{1-[3-phenyl-4-(5-phenyl-tetrazol-1-yl)-butyl]-piperidin-4-yl}-carbamic acid 4-nitro-benzyl ester
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| Structure |
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| Formula |
C33H37N7O4
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| Molecular Weight |
595.704
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| Canonical SMILES |
[O-][N+](=O)c1ccc(COC(=O)N(CC=C)C2CCN(CCC(Cn3nnnc3-c3ccccc3)c3ccccc3)CC2)cc1
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| InChI |
InChI=1S/C33H37N7O4/c1-2-20-38(33(41)44-25-26-13-15-31(16-14-26)40(42)43)30-18-22-37(23-19-30)21-17-29(27-9-5-3-6-10-27)24-39-32(34-35-36-39)28-11-7-4-8-12-28/h2-16,29-30H,1,17-25H2
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| InChIKey |
TZHZQMLZDARCRX-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