General Information of the Compound
| Compound ID |
CP0844881
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| Compound Name |
(S)-1-benzyl-4-(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 |
C39H47FIN5O
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| Molecular Weight |
747.741
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| Canonical SMILES |
C[C@H]1CN(Cc2cccc(-c3cc(CNC(=O)c4cccc(CN5CC[N+](C)(Cc6ccccc6)CC5)c4)ccc3F)c2)CCN1.[I-]
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| InChI |
InChI=1S/C39H46FN5O.HI/c1-30-26-44(17-16-41-30)28-33-10-6-12-35(22-33)37-24-32(14-15-38(37)40)25-42-39(46)36-13-7-11-34(23-36)27-43-18-20-45(2,21-19-43)29-31-8-4-3-5-9-31;/h3-15,22-24,30,41H,16-21,25-29H2,1-2H3;1H/t30-;/m0./s1
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| InChIKey |
HCWDCKCUMMSAAH-CZCBIWLKSA-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