General Information of the Compound
| Compound ID |
CP0451621
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| Compound Name |
2,6-ditert-butyl-4-[2-[but-3-ynoxy(propan-2-yloxy)phosphoryl]-2-di(propan-2-yloxy)phosphorylethyl]pyridine
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| Formula |
C28H49NO6P2
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| Molecular Weight |
557.649
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| Canonical SMILES |
CC(C)OP(=O)(OCCC#C)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/C28H49NO6P2/c1-14-15-16-32-36(30,33-20(2)3)26(37(31,34-21(4)5)35-22(6)7)19-23-17-24(27(8,9)10)29-25(18-23)28(11,12)13/h1,17-18,20-22,26H,15-16,19H2,2-13H3
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| InChIKey |
MGWORRZKHBVVMK-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