General Information of the Compound
| Compound ID |
CP0441428
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| Compound Name |
(R,R/S,S)-2-azetidin-1-yl-2aH-7-thia-cyclobuta[a]indene-1,7a-dicarboxylic acid dimethyl ester
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| Structure |
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| Formula |
C17H17NO4S
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| Molecular Weight |
331.393
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| Canonical SMILES |
COC(=O)C1=C(C2c3ccccc3SC12C(=O)OC)N1CCC1
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| InChI |
InChI=1S/C17H17NO4S/c1-21-15(19)13-14(18-8-5-9-18)12-10-6-3-4-7-11(10)23-17(12,13)16(20)22-2/h3-4,6-7,12H,5,8-9H2,1-2H3
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| InChIKey |
YZYXKPZLHQWORG-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