General Information of the Compound
| Compound ID |
CP0534513
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| Compound Name |
[1'-[(E)-3-(4-chlorophenyl)prop-2-enyl]-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]-(4-fluorophenyl)methanone
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| Structure |
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| Formula |
C28H25ClF2N2O
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| Molecular Weight |
478.97
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| Canonical SMILES |
Fc1ccc(cc1)C(=O)N1CC2(CCN(C\C=C\c3ccc(Cl)cc3)CC2)c2cc(F)ccc12
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| InChI |
InChI=1S/C28H25ClF2N2O/c29-22-7-3-20(4-8-22)2-1-15-32-16-13-28(14-17-32)19-33(26-12-11-24(31)18-25(26)28)27(34)21-5-9-23(30)10-6-21/h1-12,18H,13-17,19H2/b2-1+
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| InChIKey |
WLWBMTWWXNCMJH-OWOJBTEDSA-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