General Information of the Compound
| Compound ID |
CP0390740
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| Compound Name |
N-[5-[1-[(4-nitrophenyl)methyl]piperidin-4-yl]-2-propan-2-yloxyphenyl]benzamide
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| Structure |
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| Formula |
C28H31N3O4
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| Molecular Weight |
473.573
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| Canonical SMILES |
CC(C)Oc1ccc(cc1NC(=O)c1ccccc1)C1CCN(Cc2ccc(cc2)[N+]([O-])=O)CC1
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| InChI |
InChI=1S/C28H31N3O4/c1-20(2)35-27-13-10-24(18-26(27)29-28(32)23-6-4-3-5-7-23)22-14-16-30(17-15-22)19-21-8-11-25(12-9-21)31(33)34/h3-13,18,20,22H,14-17,19H2,1-2H3,(H,29,32)
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| InChIKey |
KPOVAZLKELMBJH-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