General Information of the Compound
| Compound ID |
CP0481672
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| Compound Name |
1-(2-(5-(4-fluorobenzyl)-1-(4-methoxyphenethyl)-4,6-dioxo-1,4,5,6-tetrahydro-1,3,5-triazin-2-ylamino)ethyl)guanidine
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| Structure |
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| Formula |
C22H26FN7O3
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| Molecular Weight |
455.494
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| Canonical SMILES |
COc1ccc(CCn2c(NCCN=C(N)N)nc(=O)n(Cc3ccc(F)cc3)c2=O)cc1
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| InChI |
InChI=1S/C22H26FN7O3/c1-33-18-8-4-15(5-9-18)10-13-29-20(27-12-11-26-19(24)25)28-21(31)30(22(29)32)14-16-2-6-17(23)7-3-16/h2-9H,10-14H2,1H3,(H4,24,25,26)(H,27,28,31)
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| InChIKey |
XGYDHOXOSWVSCX-UHFFFAOYSA-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