General Information of the Compound
| Compound ID |
CP0916707
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| Compound Name |
1-(4-amino-2,6-diisopropylphenyl)-3-((4-(3-methoxyphenyl)-1-phenylpiperidin-4-yl)methyl)urea dihydrochloride
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| Structure |
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| Formula |
C32H44Cl2N4O2
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| Molecular Weight |
587.636
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| Canonical SMILES |
COc1cccc(C2(CNC(=O)Nc3c(C(C)C)cc(N)cc3C(C)C)CCN(c3ccccc3)CC2)c1.Cl.Cl
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| InChI |
InChI=1S/C32H42N4O2.2ClH/c1-22(2)28-19-25(33)20-29(23(3)4)30(28)35-31(37)34-21-32(24-10-9-13-27(18-24)38-5)14-16-36(17-15-32)26-11-7-6-8-12-26;;/h6-13,18-20,22-23H,14-17,21,33H2,1-5H3,(H2,34,35,37);2*1H
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| InChIKey |
HVJBQKMUPHJRJY-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