General Information of the Compound
| Compound ID |
CP0470562
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| Compound Name |
Allyl-{1-[3-phenyl-4-(4-phenyl-imidazol-1-yl)-butyl]-piperidin-4-yl}-carbamic acid 4-nitro-benzyl ester
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| Structure |
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| Formula |
C35H39N5O4
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| Molecular Weight |
593.728
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| Canonical SMILES |
[O-][N+](=O)c1ccc(COC(=O)N(CC=C)C2CCN(CCC(Cn3cnc(c3)-c3ccccc3)c3ccccc3)CC2)cc1
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| InChI |
InChI=1S/C35H39N5O4/c1-2-20-39(35(41)44-26-28-13-15-33(16-14-28)40(42)43)32-18-22-37(23-19-32)21-17-31(29-9-5-3-6-10-29)24-38-25-34(36-27-38)30-11-7-4-8-12-30/h2-16,25,27,31-32H,1,17-24,26H2
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| InChIKey |
MEKPEYUUFGBTLQ-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