General Information of the Compound
| Compound ID |
CP0804353
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| Compound Name |
(S)-3-(3-(4-(2-aminoethyl)piperidin-1-yl)-2-(3'-fluorobiphenyl-3-ylsulfonamido)-3-oxopropyl)benzimidamide
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| Structure |
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| Formula |
C29H34FN5O3S
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| Molecular Weight |
551.688
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| Canonical SMILES |
N=C(N)c1cccc(C[C@H](NS(=O)(=O)c2cccc(-c3cccc(F)c3)c2)C(=O)N2CCC(CCN)CC2)c1
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| InChI |
InChI=1S/C29H34FN5O3S/c30-25-8-2-5-22(18-25)23-6-3-9-26(19-23)39(37,38)34-27(17-21-4-1-7-24(16-21)28(32)33)29(36)35-14-11-20(10-13-31)12-15-35/h1-9,16,18-20,27,34H,10-15,17,31H2,(H3,32,33)/t27-/m0/s1
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| InChIKey |
WIAPVBUUYPRJFG-MHZLTWQESA-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