General Information of the Compound
| Compound ID |
CP0511134
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| Compound Name |
Allyl-[1-(3-phenyl-4-[1,2,4]triazol-1-yl-butyl)-piperidin-4-yl]-carbamic acid 4-nitro-benzyl ester
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| Structure |
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| Formula |
C28H34N6O4
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| Molecular Weight |
518.618
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| Canonical SMILES |
[O-][N+](=O)c1ccc(COC(=O)N(CC=C)C2CCN(CCC(Cn3cncn3)c3ccccc3)CC2)cc1
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| InChI |
InChI=1S/C28H34N6O4/c1-2-15-33(28(35)38-20-23-8-10-27(11-9-23)34(36)37)26-13-17-31(18-14-26)16-12-25(19-32-22-29-21-30-32)24-6-4-3-5-7-24/h2-11,21-22,25-26H,1,12-20H2
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| InChIKey |
IDGQZNYHJUDSLV-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