General Information of the Compound
| Compound ID |
CP0527532
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| Compound Name |
1-(2-(5-(3,4-dichlorobenzyl)-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 |
C21H23Cl2N7O3
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| Molecular Weight |
492.367
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| Canonical SMILES |
COc1ccc(Cn2c(NCCN=C(N)N)nc(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)cc1
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| InChI |
InChI=1S/C21H23Cl2N7O3/c1-33-15-5-2-13(3-6-15)11-29-19(27-9-8-26-18(24)25)28-20(31)30(21(29)32)12-14-4-7-16(22)17(23)10-14/h2-7,10H,8-9,11-12H2,1H3,(H4,24,25,26)(H,27,28,31)
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| InChIKey |
YKNAFTMUMUGBNB-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