General Information of the Compound
| Compound ID |
CP0502002
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| Compound Name |
1-(4-Benzyl-4-hydroxy-piperidin-1-yl)-3-[5-chloro-2-(4-chloro-phenyl)-1-methyl-1H-pyrrolo[3,2-b]pyridin-3-yl]-propan-1-one
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| Structure |
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| Formula |
C29H29Cl2N3O2
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| Molecular Weight |
522.476
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| Canonical SMILES |
Cn1c(c(CCC(=O)N2CCC(O)(Cc3ccccc3)CC2)c2nc(Cl)ccc12)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C29H29Cl2N3O2/c1-33-24-12-13-25(31)32-27(24)23(28(33)21-7-9-22(30)10-8-21)11-14-26(35)34-17-15-29(36,16-18-34)19-20-5-3-2-4-6-20/h2-10,12-13,36H,11,14-19H2,1H3
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| InChIKey |
ZJVDJQRDIOJIMX-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