General Information of the Compound
| Compound ID |
CP0406734
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| Compound Name |
propan-2-yl 2-[4-[[1-[1-(naphthalene-1-carbonyl)piperidin-4-yl]piperidin-4-yl]methyl]phenyl]sulfanylacetate
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| Structure |
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| Formula |
C33H40N2O3S
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| Molecular Weight |
544.761
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| Canonical SMILES |
CC(C)OC(=O)CSc1ccc(CC2CCN(CC2)C2CCN(CC2)C(=O)c2cccc3ccccc23)cc1
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| InChI |
InChI=1S/C33H40N2O3S/c1-24(2)38-32(36)23-39-29-12-10-25(11-13-29)22-26-14-18-34(19-15-26)28-16-20-35(21-17-28)33(37)31-9-5-7-27-6-3-4-8-30(27)31/h3-13,24,26,28H,14-23H2,1-2H3
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| InChIKey |
OJZXEEOXMMGEHD-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