General Information of the Compound
| Compound ID |
CP0555473
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| Compound Name |
1-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethyl]-3,5-ditert-butylbenzene
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| Structure |
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| Formula |
C28H52O6P2
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| Molecular Weight |
546.666
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| Canonical SMILES |
CC(C)OP(=O)(OC(C)C)C(Cc1cc(cc(c1)C(C)(C)C)C(C)(C)C)P(=O)(OC(C)C)OC(C)C
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| InChI |
InChI=1S/C28H52O6P2/c1-19(2)31-35(29,32-20(3)4)26(36(30,33-21(5)6)34-22(7)8)17-23-15-24(27(9,10)11)18-25(16-23)28(12,13)14/h15-16,18-22,26H,17H2,1-14H3
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| InChIKey |
PUCOBTJNUOTBSF-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