General Information of the Compound
| Compound ID |
CP0553671
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| Compound Name |
methyl 2-[1-benzothiophene-3-carbonyl(1,4-dioxaspiro[4.5]decan-8-yl)amino]-4-methylpentanoate
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| Structure |
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| Formula |
C24H31NO5S
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| Molecular Weight |
445.581
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| Canonical SMILES |
COC(=O)C(CC(C)C)N(C1CCC2(CC1)OCCO2)C(=O)c1csc2ccccc12
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| InChI |
InChI=1S/C24H31NO5S/c1-16(2)14-20(23(27)28-3)25(17-8-10-24(11-9-17)29-12-13-30-24)22(26)19-15-31-21-7-5-4-6-18(19)21/h4-7,15-17,20H,8-14H2,1-3H3
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| InChIKey |
HHMXWBONPBXHEW-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