General Information of the Compound
| Compound ID |
CP0704349
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| Compound Name |
Benzylsulfonyl-D-cyclohexylalanyl-proline-(4-amidinobenzyl)-amide Trifluoroacetate
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| Structure |
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| Formula |
C31H40F3N5O6S
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| Molecular Weight |
667.751
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| Canonical SMILES |
N=C(N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC2CCCCC2)NS(=O)(=O)Cc2ccccc2)cc1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C29H39N5O4S.C2HF3O2/c30-27(31)24-15-13-22(14-16-24)19-32-28(35)26-12-7-17-34(26)29(36)25(18-21-8-3-1-4-9-21)33-39(37,38)20-23-10-5-2-6-11-23;3-2(4,5)1(6)7/h2,5-6,10-11,13-16,21,25-26,33H,1,3-4,7-9,12,17-20H2,(H3,30,31)(H,32,35);(H,6,7)/t25-,26+;/m1./s1
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| InChIKey |
CAUGICSHOVSDFW-QGLFPKSOSA-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