General Information of the Compound
| Compound ID |
CP0659824
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| Compound Name |
(S)-4-(1-(3-(3-carbamimidoylphenyl)-2-(2',3'-dichlorobiphenyl-3-ylsulfonamido)propanoyl)piperidin-4-yl)-N-methylbutanamide
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| Structure |
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| Formula |
C32H37Cl2N5O4S
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| Molecular Weight |
658.652
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| Canonical SMILES |
CNC(=O)CCCC1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2cccc(-c3cccc(Cl)c3Cl)c2)CC1
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| InChI |
InChI=1S/C32H37Cl2N5O4S/c1-37-29(40)13-3-6-21-14-16-39(17-15-21)32(41)28(19-22-7-2-9-24(18-22)31(35)36)38-44(42,43)25-10-4-8-23(20-25)26-11-5-12-27(33)30(26)34/h2,4-5,7-12,18,20-21,28,38H,3,6,13-17,19H2,1H3,(H3,35,36)(H,37,40)/t28-/m0/s1
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| InChIKey |
PBWYFIKBBSEVNZ-NDEPHWFRSA-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