General Information of the Compound
| Compound ID |
CP0548304
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| Compound Name |
(6-bromopyridin-3-yl)-[1'-[(E)-3-(4-chlorophenyl)prop-2-enyl]-5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl]methanone
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| Structure |
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| Formula |
C27H24BrClFN3O
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| Molecular Weight |
540.864
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| Canonical SMILES |
Fc1ccc2N(CC3(CCN(C\C=C\c4ccc(Cl)cc4)CC3)c2c1)C(=O)c1ccc(Br)nc1
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| InChI |
InChI=1S/C27H24BrClFN3O/c28-25-10-5-20(17-31-25)26(34)33-18-27(23-16-22(30)8-9-24(23)33)11-14-32(15-12-27)13-1-2-19-3-6-21(29)7-4-19/h1-10,16-17H,11-15,18H2/b2-1+
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| InChIKey |
RDXPBCTWNYFBFI-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