General Information of the Compound
| Compound ID |
CP0709768
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| Compound Name |
(S)-3-(3-(4-(2-aminoethyl)piperidin-1-yl)-2-(2'-chloro-4'-ethoxybiphenyl-3-ylsulfonamido)-3-oxopropyl)benzimidamide
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| Structure |
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| Formula |
C31H38ClN5O4S
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| Molecular Weight |
612.196
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| Canonical SMILES |
CCOc1ccc(-c2cccc(S(=O)(=O)N[C@@H](Cc3cccc(C(=N)N)c3)C(=O)N3CCC(CCN)CC3)c2)c(Cl)c1
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| InChI |
InChI=1S/C31H38ClN5O4S/c1-2-41-25-9-10-27(28(32)20-25)23-6-4-8-26(19-23)42(39,40)36-29(18-22-5-3-7-24(17-22)30(34)35)31(38)37-15-12-21(11-14-33)13-16-37/h3-10,17,19-21,29,36H,2,11-16,18,33H2,1H3,(H3,34,35)/t29-/m0/s1
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| InChIKey |
NRLHRRLCQPZVFI-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