General Information of the Compound
| Compound ID |
CP0376287
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| Compound Name |
1-(4-Benzyl-4-hydroxy-piperidin-1-yl)-3-[2-(4-chloro-phenyl)-1-methyl-5-morpholin-4-yl-1H-indol-3-yl]-propan-1-one
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| Structure |
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| Formula |
C34H38ClN3O3
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| Molecular Weight |
572.149
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| Canonical SMILES |
Cn1c(c(CCC(=O)N2CCC(O)(Cc3ccccc3)CC2)c2cc(ccc12)N1CCOCC1)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C34H38ClN3O3/c1-36-31-13-11-28(37-19-21-41-22-20-37)23-30(31)29(33(36)26-7-9-27(35)10-8-26)12-14-32(39)38-17-15-34(40,16-18-38)24-25-5-3-2-4-6-25/h2-11,13,23,40H,12,14-22,24H2,1H3
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| InChIKey |
HUALDBGBGSZLON-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