General Information of the Compound
| Compound ID |
CP0499445
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| Compound Name |
1-[3-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)carbazol-9-yl]ethanone
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| Structure |
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| Formula |
C28H26N2O
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| Molecular Weight |
406.529
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| Canonical SMILES |
CC(=O)n1c2ccccc2c2cc(CN3CCC4(CC3)C=Cc3ccccc43)ccc12
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| InChI |
InChI=1S/C28H26N2O/c1-20(31)30-26-9-5-3-7-23(26)24-18-21(10-11-27(24)30)19-29-16-14-28(15-17-29)13-12-22-6-2-4-8-25(22)28/h2-13,18H,14-17,19H2,1H3
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| InChIKey |
IGTBOBONVJXWNU-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