General Information of the Compound
| Compound ID |
CP0398342
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| Compound Name |
1-(2-(5-(3,4-dichlorobenzyl)-1-(4-(difluoromethoxy)benzyl)-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 |
C21H21Cl2F2N7O3
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| Molecular Weight |
528.347
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| Canonical SMILES |
NC(N)=NCCNc1nc(=O)n(Cc2ccc(Cl)c(Cl)c2)c(=O)n1Cc1ccc(OC(F)F)cc1
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| InChI |
InChI=1S/C21H21Cl2F2N7O3/c22-15-6-3-13(9-16(15)23)11-32-20(33)30-19(29-8-7-28-18(26)27)31(21(32)34)10-12-1-4-14(5-2-12)35-17(24)25/h1-6,9,17H,7-8,10-11H2,(H4,26,27,28)(H,29,30,33)
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| InChIKey |
WMMJRTQQCSFDOB-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