General Information of the Compound
| Compound ID |
CP0938839
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| Compound Name |
3-(3-((6-fluoro-3'-(((S)-3-methylpiperazin-1-yl)methyl)biphenyl-3-yl)methylcarbamoyl)benzyl)-3-aza-6-azoniaspiro[5.5]undecane
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| Structure |
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| Formula |
C36H47FIN5O
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| Molecular Weight |
711.708
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| Canonical SMILES |
C[C@H]1CN(Cc2cccc(-c3cc(CNC(=O)c4cccc(CN5CC[N+]6(CCCCC6)CC5)c4)ccc3F)c2)CCN1.[I-]
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| InChI |
InChI=1S/C36H46FN5O.HI/c1-28-25-41(14-13-38-28)27-30-7-5-9-32(21-30)34-23-29(11-12-35(34)37)24-39-36(43)33-10-6-8-31(22-33)26-40-15-19-42(20-16-40)17-3-2-4-18-42;/h5-12,21-23,28,38H,2-4,13-20,24-27H2,1H3;1H/t28-;/m0./s1
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| InChIKey |
SHVWXJJGDJGCGJ-JCOPYZAKSA-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