General Information of the Compound
| Compound ID |
CP0941314
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| Compound Name |
(S)-4-(3-((6-fluoro-3'-((3-methylpiperazin-1-yl)methyl)biphenyl-3-yl)methylcarbamoyl)benzyl)-1-methyl-1-propylpiperazin-1-ium
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| Structure |
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| Formula |
C35H47FIN5O
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| Molecular Weight |
699.697
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| Canonical SMILES |
CCC[N+]1(C)CCN(Cc2cccc(C(=O)NCc3ccc(F)c(-c4cccc(CN5CCN[C@@H](C)C5)c4)c3)c2)CC1.[I-]
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| InChI |
InChI=1S/C35H46FN5O.HI/c1-4-17-41(3)18-15-39(16-19-41)25-30-8-6-10-32(21-30)35(42)38-23-28-11-12-34(36)33(22-28)31-9-5-7-29(20-31)26-40-14-13-37-27(2)24-40;/h5-12,20-22,27,37H,4,13-19,23-26H2,1-3H3;1H/t27-;/m0./s1
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| InChIKey |
ZHMKFRQKXCMJTI-YCBFMBTMSA-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