General Information of the Compound
| Compound ID |
CP0451620
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| Compound Name |
2,6-ditert-butyl-4-[2-di(propan-2-yloxy)phosphoryl-2-[propan-2-yloxy(prop-2-ynoxy)phosphoryl]ethyl]pyridine
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| Formula |
C27H47NO6P2
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| Molecular Weight |
543.622
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| Canonical SMILES |
CC(C)OP(=O)(OCC#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/C27H47NO6P2/c1-14-15-31-35(29,32-19(2)3)25(36(30,33-20(4)5)34-21(6)7)18-22-16-23(26(8,9)10)28-24(17-22)27(11,12)13/h1,16-17,19-21,25H,15,18H2,2-13H3
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| InChIKey |
ZYHYAZACJLKIJM-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