General Information of the Compound
| Compound ID |
CP0451233
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| Compound Name |
(6-Ethoxy-naphthalen-1-yl)-[4-(4-isopropylsulfanyl-benzyl)-[1,4']bipiperidinyl-1'-yl]-methanone
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| Structure |
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| Formula |
C33H42N2O2S
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| Molecular Weight |
530.778
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| Canonical SMILES |
CCOc1ccc2c(cccc2c1)C(=O)N1CCC(CC1)N1CCC(Cc2ccc(SC(C)C)cc2)CC1
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| InChI |
InChI=1S/C33H42N2O2S/c1-4-37-29-10-13-31-27(23-29)6-5-7-32(31)33(36)35-20-16-28(17-21-35)34-18-14-26(15-19-34)22-25-8-11-30(12-9-25)38-24(2)3/h5-13,23-24,26,28H,4,14-22H2,1-3H3
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| InChIKey |
ITTNKFNGDHHQSI-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