General Information of the Compound
| Compound ID |
CP0504012
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| Compound Name |
(+/-)-methyl 2-(N-(1,4-dioxaspiro[4.5]decan-8-yl)benzo[b]thiophene-3-carboxamido)-3-(4-chlorophenyl)propanoate
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| Structure |
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| Formula |
C27H28ClNO5S
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| Molecular Weight |
514.043
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| Canonical SMILES |
COC(=O)C(Cc1ccc(Cl)cc1)N(C1CCC2(CC1)OCCO2)C(=O)c1csc2ccccc12
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| InChI |
InChI=1S/C27H28ClNO5S/c1-32-26(31)23(16-18-6-8-19(28)9-7-18)29(20-10-12-27(13-11-20)33-14-15-34-27)25(30)22-17-35-24-5-3-2-4-21(22)24/h2-9,17,20,23H,10-16H2,1H3
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| InChIKey |
KIAVXLCRALURJT-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