General Information of the Compound
| Compound ID |
CP0525046
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| Compound Name |
N-[1'-[(9-ethylcarbazol-3-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]acetamide
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| Structure |
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| Formula |
C30H33N3O
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| Molecular Weight |
451.614
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| Canonical SMILES |
CCn1c2ccccc2c2cc(CN3CCC4(CC3)C(Cc3ccccc43)NC(C)=O)ccc12
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| InChI |
InChI=1S/C30H33N3O/c1-3-33-27-11-7-5-9-24(27)25-18-22(12-13-28(25)33)20-32-16-14-30(15-17-32)26-10-6-4-8-23(26)19-29(30)31-21(2)34/h4-13,18,29H,3,14-17,19-20H2,1-2H3,(H,31,34)
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| InChIKey |
XIAPDIGMKMGOTB-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