General Information of the Compound
| Compound ID |
CP0052968
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| Compound Name |
4-[(2S)-3-(3-carbamimidoylphenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]-N-hexylpiperazine-1-carboxamide
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| Structure |
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| Formula |
C31H40N6O4S
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| Molecular Weight |
592.766
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| Canonical SMILES |
CCCCCCNC(=O)N1CCN(CC1)C(=O)[C@H](Cc1cccc(c1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
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| InChI |
InChI=1S/C31H40N6O4S/c1-2-3-4-7-15-34-31(39)37-18-16-36(17-19-37)30(38)28(21-23-9-8-12-26(20-23)29(32)33)35-42(40,41)27-14-13-24-10-5-6-11-25(24)22-27/h5-6,8-14,20,22,28,35H,2-4,7,15-19,21H2,1H3,(H3,32,33)(H,34,39)/t28-/m0/s1
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| InChIKey |
ALULAPDKQUXDRO-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