General Information of the Compound
| Compound ID |
CP0896441
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| Compound Name |
1-(4-amino-2,6-diisopropylphenyl)-3-((1,4-bis(2-methoxyphenyl)piperidin-4-yl)methyl)urea
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| Structure |
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| Formula |
C33H46Cl2N4O3
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| Molecular Weight |
617.662
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| Canonical SMILES |
COc1ccccc1N1CCC(CNC(=O)Nc2c(C(C)C)cc(N)cc2C(C)C)(c2ccccc2OC)CC1.Cl.Cl
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| InChI |
InChI=1S/C33H44N4O3.2ClH/c1-22(2)25-19-24(34)20-26(23(3)4)31(25)36-32(38)35-21-33(27-11-7-9-13-29(27)39-5)15-17-37(18-16-33)28-12-8-10-14-30(28)40-6;;/h7-14,19-20,22-23H,15-18,21,34H2,1-6H3,(H2,35,36,38);2*1H
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| InChIKey |
BVQWTTXMBCFURR-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