General Information of the Compound
| Compound ID |
CP0477707
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| Compound Name |
1-(1-adamantylmethyl)-3-(2-phenylethyl)urea
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| Structure |
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| Formula |
C20H28N2O
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| Molecular Weight |
312.457
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| Canonical SMILES |
O=C(NCCc1ccccc1)NCC12CC3CC(CC(C3)C1)C2
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| InChI |
InChI=1S/C20H28N2O/c23-19(21-7-6-15-4-2-1-3-5-15)22-14-20-11-16-8-17(12-20)10-18(9-16)13-20/h1-5,16-18H,6-14H2,(H2,21,22,23)
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| InChIKey |
IMOVKTPQLNFZJC-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