General Information of the Compound
| Compound ID |
CP0499940
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| Compound Name |
(R)-N-(5-guanidino-1-oxo-1-(4-(trifluoromethyl)benzylamino)pentan-2-yl)-9H-xanthene-9-carboxamide
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| Structure |
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| Formula |
C28H28F3N5O3
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| Molecular Weight |
539.558
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| Canonical SMILES |
NC(=N)NCCC[C@@H](NC(=O)C1c2ccccc2Oc2ccccc12)C(=O)NCc1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C28H28F3N5O3/c29-28(30,31)18-13-11-17(12-14-18)16-35-25(37)21(8-5-15-34-27(32)33)36-26(38)24-19-6-1-3-9-22(19)39-23-10-4-2-7-20(23)24/h1-4,6-7,9-14,21,24H,5,8,15-16H2,(H,35,37)(H,36,38)(H4,32,33,34)/t21-/m1/s1
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| InChIKey |
HUOGZJSVHPIATA-OAQYLSRUSA-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