General Information of the Compound
| Compound ID |
CP0677566
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| Compound Name |
(S)-4-(1-(3-(3-carbamimidoylphenyl)-2-(2'-fluorobiphenyl-3-ylsulfonamido)propanoyl)piperidin-4-yl)-N-methylbutanamide
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| Structure |
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| Formula |
C32H38FN5O4S
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| Molecular Weight |
607.752
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| Canonical SMILES |
CNC(=O)CCCC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2cccc(-c3ccccc3F)c2)CC1
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| InChI |
InChI=1S/C32H38FN5O4S/c1-36-30(39)14-5-7-22-15-17-38(18-16-22)32(40)29(20-23-8-4-10-25(19-23)31(34)35)37-43(41,42)26-11-6-9-24(21-26)27-12-2-3-13-28(27)33/h2-4,6,8-13,19,21-22,29,37H,5,7,14-18,20H2,1H3,(H3,34,35)(H,36,39)/t29-/m0/s1
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| InChIKey |
VPYOLAUMEZMPRQ-LJAQVGFWSA-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