General Information of the Compound
| Compound ID |
CP0273257
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| Compound Name |
N,N-diethyl-4-[phenyl-[8-(2-thiophen-2-ylethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]methyl]benzamide
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| Structure |
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| Formula |
C31H36N2OS
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| Molecular Weight |
484.709
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| Canonical SMILES |
CCN(CC)C(=O)c1ccc(cc1)C(=C1CC2CCC(C1)N2CCc1cccs1)c1ccccc1
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| InChI |
InChI=1S/C31H36N2OS/c1-3-32(4-2)31(34)25-14-12-24(13-15-25)30(23-9-6-5-7-10-23)26-21-27-16-17-28(22-26)33(27)19-18-29-11-8-20-35-29/h5-15,20,27-28H,3-4,16-19,21-22H2,1-2H3
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| InChIKey |
CODNVHULVBDCJR-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