General Information of the Compound
| Compound ID |
CP0439804
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| Compound Name |
1-(4-Benzyl-4-hydroxy-piperidin-1-yl)-3-[2-(4-chloro-phenyl)-1-methyl-5-pyridin-3-yl-1H-indol-3-yl]-propan-1-one
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| Structure |
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| Formula |
C35H34ClN3O2
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| Molecular Weight |
564.129
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| Canonical SMILES |
Cn1c(c(CCC(=O)N2CCC(O)(Cc3ccccc3)CC2)c2cc(ccc12)-c1cccnc1)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C35H34ClN3O2/c1-38-32-15-11-27(28-8-5-19-37-24-28)22-31(32)30(34(38)26-9-12-29(36)13-10-26)14-16-33(40)39-20-17-35(41,18-21-39)23-25-6-3-2-4-7-25/h2-13,15,19,22,24,41H,14,16-18,20-21,23H2,1H3
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| InChIKey |
AWWGZGHNVPCKFM-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