General Information of the Compound
| Compound ID |
CP0736095
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| Compound Name |
SID50106261
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| Structure |
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| Formula |
C28H59N2O6P
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| Molecular Weight |
550.762
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| Canonical SMILES |
CCCCCCCCCCCCCCCCCC(=O)NCC(COP(=O)([O-])OCC[N+](C)(C)C)OCC
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| InChI |
InChI=1S/C28H59N2O6P/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28(31)29-25-27(34-7-2)26-36-37(32,33)35-24-23-30(3,4)5/h27H,6-26H2,1-5H3,(H-,29,31,32,33)
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| InChIKey |
QUVZKDZYEOYGKV-UHFFFAOYSA-N
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| CAS |
112989-02-3
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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: PT06109, Geminin
Protein ID: PT01065, Serine/threonine-protein kinase mTOR