General Information of the Compound
| Compound ID |
CP0709773
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| Compound Name |
(S)-4-(1-(3-(3-carbamimidoylphenyl)-2-(2'-chloro-4'-ethoxybiphenyl-3-ylsulfonamido)propanoyl)piperidin-4-yl)-N-methylbutanamide
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| Structure |
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| Formula |
C34H42ClN5O5S
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| Molecular Weight |
668.26
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| Canonical SMILES |
CCOc1ccc(-c2cccc(S(=O)(=O)N[C@@H](Cc3cccc(C(=N)N)c3)C(=O)N3CCC(CCCC(=O)NC)CC3)c2)c(Cl)c1
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| InChI |
InChI=1S/C34H42ClN5O5S/c1-3-45-27-13-14-29(30(35)22-27)25-9-6-11-28(21-25)46(43,44)39-31(20-24-8-4-10-26(19-24)33(36)37)34(42)40-17-15-23(16-18-40)7-5-12-32(41)38-2/h4,6,8-11,13-14,19,21-23,31,39H,3,5,7,12,15-18,20H2,1-2H3,(H3,36,37)(H,38,41)/t31-/m0/s1
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| InChIKey |
RGGVMMIMZJLILS-HKBQPEDESA-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