General Information of the Compound
| Compound ID |
CP0167225
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| Compound Name |
Allyl-[1-(4-benzoimidazol-1-yl-3-methyl-3-phenyl-butyl)-piperidin-4-yl]-carbamic acid 4-nitro-benzyl ester
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| Structure |
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| Formula |
C34H39N5O4
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| Molecular Weight |
581.717
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| Canonical SMILES |
CC(CCN1CCC(CC1)N(CC=C)C(=O)OCc1ccc(cc1)[N+]([O-])=O)(Cn1cnc2ccccc12)c1ccccc1
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| InChI |
InChI=1S/C34H39N5O4/c1-3-20-38(33(40)43-24-27-13-15-30(16-14-27)39(41)42)29-17-21-36(22-18-29)23-19-34(2,28-9-5-4-6-10-28)25-37-26-35-31-11-7-8-12-32(31)37/h3-16,26,29H,1,17-25H2,2H3
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| InChIKey |
ZEZTUVDVWYRRGY-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