General Information of the Compound
| Compound ID |
CP0558910
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| Compound Name |
2-[4-[[4-[[4-(diaminomethylideneamino)-6-[2-imino-5-(2-methylpropyl)-4-oxoimidazolidin-1-yl]-1,3,5-triazin-2-yl]amino]cyclohexyl]amino]-6-[2-imino-5-(2-methylpropyl)-4-oxoimidazolidin-1-yl]-1,3,5-triazin-2-yl]guanidine;2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C36H48F12N20O10
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| Molecular Weight |
1148.886
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| Canonical SMILES |
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)CC1N(C(N)=NC1=O)c1nc(NC2CCC(CC2)Nc2nc(NC(N)=N)nc(n2)N2C(CC(C)C)C(=O)N=C2N)nc(NC(N)=N)n1
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| InChI |
InChI=1S/C28H44N20O2.4C2HF3O2/c1-11(2)9-15-17(49)37-21(33)47(15)27-43-23(41-25(45-27)39-19(29)30)35-13-5-7-14(8-6-13)36-24-42-26(40-20(31)32)46-28(44-24)48-16(10-12(3)4)18(50)38-22(48)34;4*3-2(4,5)1(6)7/h11-16H,5-10H2,1-4H3,(H2,33,37,49)(H2,34,38,50)(H5,29,30,35,39,41,43,45)(H5,31,32,36,40,42,44,46);4*(H,6,7)
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| InChIKey |
WVHPJQKBKSRFQL-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
Protein ID: PT04372, Atrial natriuretic peptide receptor 1
Protein ID: PT06432, Atrial natriuretic peptide receptor 1