General Information of the Compound
| Compound ID |
CP0374102
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| Compound Name |
1-(2-(5-butyl-1-(4-methoxybenzyl)-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 |
C18H27N7O3
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| Molecular Weight |
389.46
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| Canonical SMILES |
CCCCn1c(=O)nc(NCCN=C(N)N)n(Cc2ccc(OC)cc2)c1=O
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| InChI |
InChI=1S/C18H27N7O3/c1-3-4-11-24-17(26)23-16(22-10-9-21-15(19)20)25(18(24)27)12-13-5-7-14(28-2)8-6-13/h5-8H,3-4,9-12H2,1-2H3,(H4,19,20,21)(H,22,23,26)
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| InChIKey |
MJEGRQIHMJCKPG-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