General Information of the Compound
| Compound ID |
CP0489006
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| Compound Name |
2-[2,2-Bis-(4-chloro-phenyl)-acetylamino]-5-guanidino-pentanoic acid benzylamide
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| Structure |
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| Formula |
C27H29Cl2N5O2
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| Molecular Weight |
526.468
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| Canonical SMILES |
NC(=N)NCCCC(NC(=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C(=O)NCc1ccccc1
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| InChI |
InChI=1S/C27H29Cl2N5O2/c28-21-12-8-19(9-13-21)24(20-10-14-22(29)15-11-20)26(36)34-23(7-4-16-32-27(30)31)25(35)33-17-18-5-2-1-3-6-18/h1-3,5-6,8-15,23-24H,4,7,16-17H2,(H,33,35)(H,34,36)(H4,30,31,32)
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| InChIKey |
XEZWZNACKGHWSC-UHFFFAOYSA-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