General Information of the Compound
| Compound ID |
CP0534512
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| Compound Name |
[1'-[(E)-3-(4-chlorophenyl)prop-2-enyl]-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]-(2-fluoropyridin-4-yl)methanone
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| Structure |
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| Formula |
C27H24ClF2N3O
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| Molecular Weight |
479.958
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| Canonical SMILES |
Fc1ccc2N(CC3(CCN(C\C=C\c4ccc(Cl)cc4)CC3)c2c1)C(=O)c1ccnc(F)c1
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| InChI |
InChI=1S/C27H24ClF2N3O/c28-21-5-3-19(4-6-21)2-1-13-32-14-10-27(11-15-32)18-33(24-8-7-22(29)17-23(24)27)26(34)20-9-12-31-25(30)16-20/h1-9,12,16-17H,10-11,13-15,18H2/b2-1+
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| InChIKey |
DSSGEOKNTGYRDY-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