General Information of the Compound
| Compound ID |
CP0528579
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| Compound Name |
1-(2-(1-(4-methoxybenzyl)-5-(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 |
C23H29N7O4
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| Molecular Weight |
467.53
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| Canonical SMILES |
COc1ccc(CCn2c(=O)nc(NCCN=C(N)N)n(Cc3ccc(OC)cc3)c2=O)cc1
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| InChI |
InChI=1S/C23H29N7O4/c1-33-18-7-3-16(4-8-18)11-14-29-22(31)28-21(27-13-12-26-20(24)25)30(23(29)32)15-17-5-9-19(34-2)10-6-17/h3-10H,11-15H2,1-2H3,(H4,24,25,26)(H,27,28,31)
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| InChIKey |
IYCHVGAWBULNOX-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