General Information of the Compound
| Compound ID |
CP0560212
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| Compound Name |
(R)-2-(2,2-diphenylacetamido)-5-guanidino-N-(4-(trifluoromethyl)benzyl)pentanamide
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| Structure |
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| Formula |
C28H30F3N5O2
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| Molecular Weight |
525.575
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| Canonical SMILES |
NC(=N)NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C28H30F3N5O2/c29-28(30,31)22-15-13-19(14-16-22)18-35-25(37)23(12-7-17-34-27(32)33)36-26(38)24(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-6,8-11,13-16,23-24H,7,12,17-18H2,(H,35,37)(H,36,38)(H4,32,33,34)/t23-/m1/s1
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| InChIKey |
IDRSNFGXFNGOLW-HSZRJFAPSA-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