General Information of the Compound
| Compound ID |
CP0911660
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| Compound Name |
1-(3,5-Dichloro-phenyl)-3-{4-[4-(3a,7a-dihydro-1H-indol-4-yl)-phenyl]-1-methyl-piperidin-4-ylmethyl}-urea
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| Structure |
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| Formula |
C28H28Cl2N4O
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| Molecular Weight |
507.465
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| Canonical SMILES |
CN1CCC(CNC(=O)Nc2cc(Cl)cc(Cl)c2)(c2ccc(-c3cccc4[nH]ccc34)cc2)CC1
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| InChI |
InChI=1S/C28H28Cl2N4O/c1-34-13-10-28(11-14-34,18-32-27(35)33-23-16-21(29)15-22(30)17-23)20-7-5-19(6-8-20)24-3-2-4-26-25(24)9-12-31-26/h2-9,12,15-17,31H,10-11,13-14,18H2,1H3,(H2,32,33,35)
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| InChIKey |
STAGSNVHYTWZTE-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