General Information of the Compound
| Compound ID |
CP0850466
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| Compound Name |
(S)-1-(1-amino-5-guanidino-1-oxopentan-2-yl)-2-(3-phenoxyphenyl)-N-(3-(trifluoromethyl)benzyl)-1H-benzo[d]imidazole-5-carboxamide
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| Structure |
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| Formula |
C34H32F3N7O3
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| Molecular Weight |
643.67
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| Canonical SMILES |
N=C(N)NCCC[C@@H](C(N)=O)n1c(-c2cccc(Oc3ccccc3)c2)nc2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccc21
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| InChI |
InChI=1S/C34H32F3N7O3/c35-34(36,37)24-9-4-7-21(17-24)20-42-32(46)23-14-15-28-27(19-23)43-31(44(28)29(30(38)45)13-6-16-41-33(39)40)22-8-5-12-26(18-22)47-25-10-2-1-3-11-25/h1-5,7-12,14-15,17-19,29H,6,13,16,20H2,(H2,38,45)(H,42,46)(H4,39,40,41)/t29-/m0/s1
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| InChIKey |
GSNUNSDCZPXTDL-LJAQVGFWSA-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