General Information of the Compound
| Compound ID |
CP0807142
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| Compound Name |
Benzylsulfonyl-D-argininyl-proline-(4-amidinobenzyl)amide Bis-(trifluoroacetate)
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| Structure |
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| Formula |
C28H37F3N8O6S
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| Molecular Weight |
670.715
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| Canonical SMILES |
N=C(N)NCCC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(=N)N)cc1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C26H36N8O4S.C2HF3O2/c27-23(28)20-12-10-18(11-13-20)16-32-24(35)22-9-5-15-34(22)25(36)21(8-4-14-31-26(29)30)33-39(37,38)17-19-6-2-1-3-7-19;3-2(4,5)1(6)7/h1-3,6-7,10-13,21-22,33H,4-5,8-9,14-17H2,(H3,27,28)(H,32,35)(H4,29,30,31);(H,6,7)/t21-,22+;/m1./s1
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| InChIKey |
KDQQKKGHZKKJPD-NSLUPJTDSA-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