General Information of the Compound
| Compound ID |
CP0530921
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| Compound Name |
methyl 4-[[4-[(adamantane-1-carbonylamino)methyl]anilino]-diethoxyphosphorylmethyl]benzoate
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| Structure |
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| Formula |
C31H41N2O6P
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| Molecular Weight |
568.651
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| Canonical SMILES |
CCOP(=O)(OCC)C(Nc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1)c1ccc(cc1)C(=O)OC
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| InChI |
InChI=1S/C31H41N2O6P/c1-4-38-40(36,39-5-2)28(25-8-10-26(11-9-25)29(34)37-3)33-27-12-6-21(7-13-27)20-32-30(35)31-17-22-14-23(18-31)16-24(15-22)19-31/h6-13,22-24,28,33H,4-5,14-20H2,1-3H3,(H,32,35)
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| InChIKey |
KDDDCHRLKYZOHF-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