General Information of the Compound
| Compound ID |
CP0677568
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| Compound Name |
(S)-4-(1-(3-(3-carbamimidoylphenyl)-2-(2',4'-dimethoxybiphenyl-3-ylsulfonamido)propanoyl)piperidin-4-yl)-N-methylbutanamide
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| Structure |
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| Formula |
C34H43N5O6S
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| Molecular Weight |
649.814
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| Canonical SMILES |
CNC(=O)CCCC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2cccc(-c3ccc(OC)cc3OC)c2)CC1
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| InChI |
InChI=1S/C34H43N5O6S/c1-37-32(40)12-5-7-23-15-17-39(18-16-23)34(41)30(20-24-8-4-10-26(19-24)33(35)36)38-46(42,43)28-11-6-9-25(21-28)29-14-13-27(44-2)22-31(29)45-3/h4,6,8-11,13-14,19,21-23,30,38H,5,7,12,15-18,20H2,1-3H3,(H3,35,36)(H,37,40)/t30-/m0/s1
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| InChIKey |
XEYMSPYAMSNLLU-PMERELPUSA-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