General Information of the Compound
| Compound ID |
CP0515352
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| Compound Name |
1,1-Bis-(4-fluoro-phenyl)-3-[4-(4-methanesulfonyl-benzyl)-[1,4]diazepan-1-yl]-propan-1-ol
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| Structure |
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| Formula |
C28H32F2N2O3S
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| Molecular Weight |
514.638
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| Canonical SMILES |
CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
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| InChI |
InChI=1S/C28H32F2N2O3S/c1-36(34,35)27-13-3-22(4-14-27)21-32-17-2-16-31(19-20-32)18-15-28(33,23-5-9-25(29)10-6-23)24-7-11-26(30)12-8-24/h3-14,33H,2,15-21H2,1H3
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| InChIKey |
MXBVGHFRPXPRKM-UHFFFAOYSA-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