General Information of the Compound
| Compound ID |
CP0089706
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| Compound Name |
N-benzyl-4-[(2S)-3-(3-carbamimidoylphenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]piperazine-1-carboxamide
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| Structure |
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| Formula |
C32H34N6O4S
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| Molecular Weight |
598.729
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| Canonical SMILES |
NC(=N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(CC2)C(=O)NCc2ccccc2)c1
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| InChI |
InChI=1S/C32H34N6O4S/c33-30(34)27-12-6-9-24(19-27)20-29(36-43(41,42)28-14-13-25-10-4-5-11-26(25)21-28)31(39)37-15-17-38(18-16-37)32(40)35-22-23-7-2-1-3-8-23/h1-14,19,21,29,36H,15-18,20,22H2,(H3,33,34)(H,35,40)/t29-/m0/s1
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| InChIKey |
IXLXNDFMSBXQDV-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