General Information of the Compound
| Compound ID |
CP0405791
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| Compound Name |
1-(4-Benzyl-4-hydroxy-piperidin-1-yl)-3-[2-(4-chloro-phenyl)-1-methyl-5-vinyl-1H-indol-3-yl]-propan-1-one
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| Structure |
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| Formula |
C32H33ClN2O2
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| Molecular Weight |
513.081
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| Canonical SMILES |
Cn1c(c(CCC(=O)N2CCC(O)(Cc3ccccc3)CC2)c2cc(C=C)ccc12)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C32H33ClN2O2/c1-3-23-9-15-29-28(21-23)27(31(34(29)2)25-10-12-26(33)13-11-25)14-16-30(36)35-19-17-32(37,18-20-35)22-24-7-5-4-6-8-24/h3-13,15,21,37H,1,14,16-20,22H2,2H3
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| InChIKey |
CJEMHYNHZXIHFV-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