General Information of the Compound
| Compound ID |
CP0454858
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| Compound Name |
3-[5-Chloro-2-(4-chloro-phenyl)-1-methyl-1H-indol-3-yl]-1-(4-hydroxymethyl-4-phenyl-piperidin-1-yl)-propan-1-one
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| Structure |
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| Formula |
C30H30Cl2N2O2
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| Molecular Weight |
521.488
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| Canonical SMILES |
Cn1c(c(CCC(=O)N2CCC(CO)(CC2)c2ccccc2)c2cc(Cl)ccc12)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C30H30Cl2N2O2/c1-33-27-13-11-24(32)19-26(27)25(29(33)21-7-9-23(31)10-8-21)12-14-28(36)34-17-15-30(20-35,16-18-34)22-5-3-2-4-6-22/h2-11,13,19,35H,12,14-18,20H2,1H3
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| InChIKey |
QJMOSYCFKFRZPQ-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