General Information of the Compound
| Compound ID |
CP0919131
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| Compound Name |
(S)-1-(3-((6-fluoro-3'-((3-methylpiperazin-1-yl)methyl)biphenyl-3-yl)methylcarbamoyl)benzyl)-1-methylpiperazin-1-ium
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| Structure |
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| Formula |
C32H41FIN5O
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| Molecular Weight |
657.616
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| Canonical SMILES |
C[C@H]1CN(Cc2cccc(-c3cc(CNC(=O)c4cccc(C[N+]5(C)CCNCC5)c4)ccc3F)c2)CCN1.[I-]
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| InChI |
InChI=1S/C32H40FN5O.HI/c1-24-21-37(14-11-35-24)22-26-5-3-7-28(17-26)30-19-25(9-10-31(30)33)20-36-32(39)29-8-4-6-27(18-29)23-38(2)15-12-34-13-16-38;/h3-10,17-19,24,34-35H,11-16,20-23H2,1-2H3;1H/t24-;/m0./s1
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| InChIKey |
IDJFABFFZZDIIM-JIDHJSLPSA-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