General Information of the Compound
| Compound ID |
CP0502752
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| Compound Name |
(R)-N-(5-guanidino-1-oxo-1-(4-(trifluoromethyl)benzylamino)pentan-2-yl)-5-methoxy-1H-indole-2-carboxamide
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| Structure |
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| Formula |
C24H27F3N6O3
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| Molecular Weight |
504.513
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| Canonical SMILES |
COc1ccc2[nH]c(cc2c1)C(=O)N[C@H](CCCNC(N)=N)C(=O)NCc1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C24H27F3N6O3/c1-36-17-8-9-18-15(11-17)12-20(32-18)22(35)33-19(3-2-10-30-23(28)29)21(34)31-13-14-4-6-16(7-5-14)24(25,26)27/h4-9,11-12,19,32H,2-3,10,13H2,1H3,(H,31,34)(H,33,35)(H4,28,29,30)/t19-/m1/s1
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| InChIKey |
MAXYIAALTDWOLW-LJQANCHMSA-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