General Information of the Compound
| Compound ID |
CP0453567
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| Compound Name |
(6-Isopropoxy-naphthalen-1-yl)-[4-(4-isopropylsulfanyl-benzyl)-[1,4']bipiperidinyl-1'-yl]-methanone
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| Structure |
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| Formula |
C34H44N2O2S
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| Molecular Weight |
544.805
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| Canonical SMILES |
CC(C)Oc1ccc2c(cccc2c1)C(=O)N1CCC(CC1)N1CCC(Cc2ccc(SC(C)C)cc2)CC1
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| InChI |
InChI=1S/C34H44N2O2S/c1-24(2)38-30-10-13-32-28(23-30)6-5-7-33(32)34(37)36-20-16-29(17-21-36)35-18-14-27(15-19-35)22-26-8-11-31(12-9-26)39-25(3)4/h5-13,23-25,27,29H,14-22H2,1-4H3
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| InChIKey |
BNVRVHQVRJMDBF-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