General Information of the Compound
| Compound ID |
CP0451622
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| Compound Name |
2,6-ditert-butyl-4-[2-[2-(3-but-3-ynyldiazirin-3-yl)ethoxy-propan-2-yloxyphosphoryl]-2-di(propan-2-yloxy)phosphorylethyl]pyridine
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| Formula |
C31H53N3O6P2
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| Molecular Weight |
625.728
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| Canonical SMILES |
CC(C)OP(=O)(OCCC1(CCC#C)N=N1)C(Cc1cc(nc(c1)C(C)(C)C)C(C)(C)C)P(=O)(OC(C)C)OC(C)C
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| InChI |
InChI=1S/C31H53N3O6P2/c1-14-15-16-31(33-34-31)17-18-37-41(35,38-22(2)3)28(42(36,39-23(4)5)40-24(6)7)21-25-19-26(29(8,9)10)32-27(20-25)30(11,12)13/h1,19-20,22-24,28H,15-18,21H2,2-13H3
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| InChIKey |
MMXBEWXQBVPIKJ-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