General Information of the Compound
| Compound ID |
CP0522220
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| Compound Name |
1-(4-Benzyl-4-hydroxy-piperidin-1-yl)-3-[5-chloro-1-methyl-2-(6-methyl-pyridin-3-yl)-1H-indol-3-yl]-propan-1-one
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| Structure |
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| Formula |
C30H32ClN3O2
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| Molecular Weight |
502.058
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| Canonical SMILES |
Cc1ccc(cn1)-c1c(CCC(=O)N2CCC(O)(Cc3ccccc3)CC2)c2cc(Cl)ccc2n1C
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| InChI |
InChI=1S/C30H32ClN3O2/c1-21-8-9-23(20-32-21)29-25(26-18-24(31)10-12-27(26)33(29)2)11-13-28(35)34-16-14-30(36,15-17-34)19-22-6-4-3-5-7-22/h3-10,12,18,20,36H,11,13-17,19H2,1-2H3
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| InChIKey |
VBAYZZLNRAMWHO-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