General Information of the Compound
| Compound ID |
CP0896445
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| Compound Name |
1-(3-amino-2,6-diisopropylphenyl)-3-((1-(2-methoxyphenyl)-4-(3-methoxyphenyl)piperidin-4-yl)methyl)urea dihydrochloride
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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 |
COc1cccc(C2(CNC(=O)Nc3c(C(C)C)ccc(N)c3C(C)C)CCN(c3ccccc3OC)CC2)c1.Cl.Cl
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| InChI |
InChI=1S/C33H44N4O3.2ClH/c1-22(2)26-14-15-27(34)30(23(3)4)31(26)36-32(38)35-21-33(24-10-9-11-25(20-24)39-5)16-18-37(19-17-33)28-12-7-8-13-29(28)40-6;;/h7-15,20,22-23H,16-19,21,34H2,1-6H3,(H2,35,36,38);2*1H
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| InChIKey |
IYWPMVOAOBYSRY-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