General Information of the Compound
| Compound ID |
CP0476459
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| Compound Name |
3-[(2,3-dichloro-4-pyrazin-2-ylphenyl)methyl]-1-methyl-1-[1-[5-(6-methylpyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]piperidin-4-yl]urea
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| Structure |
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| Formula |
C32H33Cl2N7O
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| Molecular Weight |
602.57
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| Canonical SMILES |
CN(C1CCN(CC1)C1CCc2cc(ccc12)-c1cc(C)ncn1)C(=O)NCc1ccc(-c2cnccn2)c(Cl)c1Cl
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| InChI |
InChI=1S/C32H33Cl2N7O/c1-20-15-27(39-19-38-20)22-3-6-25-21(16-22)5-8-29(25)41-13-9-24(10-14-41)40(2)32(42)37-17-23-4-7-26(31(34)30(23)33)28-18-35-11-12-36-28/h3-4,6-7,11-12,15-16,18-19,24,29H,5,8-10,13-14,17H2,1-2H3,(H,37,42)
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| InChIKey |
HLSXKBNQHUEBKA-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