General Information of the Compound
| Compound ID |
CP0530919
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| Compound Name |
1-(1-adamantyl)-3-[[4-[[1-bis(phenylmethoxy)phosphoryl-2,2-dimethylpropyl]amino]phenyl]methyl]urea
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| Structure |
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| Formula |
C37H48N3O4P
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| Molecular Weight |
629.782
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| Canonical SMILES |
CC(C)(C)C(Nc1ccc(CNC(=O)NC23CC4CC(CC(C4)C2)C3)cc1)P(=O)(OCc1ccccc1)OCc1ccccc1
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| InChI |
InChI=1S/C37H48N3O4P/c1-36(2,3)34(45(42,43-25-28-10-6-4-7-11-28)44-26-29-12-8-5-9-13-29)39-33-16-14-27(15-17-33)24-38-35(41)40-37-21-30-18-31(22-37)20-32(19-30)23-37/h4-17,30-32,34,39H,18-26H2,1-3H3,(H2,38,40,41)
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| InChIKey |
JBCJILFUSQMNOQ-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