General Information of the Compound
| Compound ID |
CP0754265
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| Compound Name |
Benzylsulfonyl-D-arginyl-proline-(2-aminomethyl-5-chlorobenzyl)-amide Bis(trifluoroacetate)
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| Structure |
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| Formula |
C28H37ClF3N7O6S
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| Molecular Weight |
692.161
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| Canonical SMILES |
N=C(N)NCCC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1CN.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C26H36ClN7O4S.C2HF3O2/c27-21-11-10-19(15-28)20(14-21)16-32-24(35)23-9-5-13-34(23)25(36)22(8-4-12-31-26(29)30)33-39(37,38)17-18-6-2-1-3-7-18;3-2(4,5)1(6)7/h1-3,6-7,10-11,14,22-23,33H,4-5,8-9,12-13,15-17,28H2,(H,32,35)(H4,29,30,31);(H,6,7)/t22-,23+;/m1./s1
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| InChIKey |
IMQIBRYLMRBDJM-RFPXDPOKSA-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
Protein ID: PT01847, Suppressor of tumorigenicity 14 protein
Protein ID: PT03634, Transmembrane protease serine 6