General Information of the Compound
| Compound ID |
CP0857660
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| Compound Name |
(R)-1-(1-amino-5-guanidino-1-oxopentan-2-yl)-N-(1H-indazol-6-yl)-2-(3-phenoxyphenyl)-1H-benzo[d]imidazole-5-carboxamide
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| Structure |
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| Formula |
C33H31N9O3
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| Molecular Weight |
601.671
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| Canonical SMILES |
N=C(N)NCCC[C@H](C(N)=O)n1c(-c2cccc(Oc3ccccc3)c2)nc2cc(C(=O)Nc3ccc4cn[nH]c4c3)ccc21
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| InChI |
InChI=1S/C33H31N9O3/c34-30(43)29(10-5-15-37-33(35)36)42-28-14-12-21(32(44)39-23-13-11-22-19-38-41-26(22)18-23)17-27(28)40-31(42)20-6-4-9-25(16-20)45-24-7-2-1-3-8-24/h1-4,6-9,11-14,16-19,29H,5,10,15H2,(H2,34,43)(H,38,41)(H,39,44)(H4,35,36,37)/t29-/m1/s1
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| InChIKey |
IHCGUCMLVARRJW-GDLZYMKVSA-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