General Information of the Compound
| Compound ID |
CP0115794
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| Compound Name |
1-((2S,4S)-2-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-4-(4-(methylthio)phenoxy)pyrrolidin-1-yl)ethanone
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| Structure |
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| Formula |
C23H33N3O3S
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| Molecular Weight |
431.602
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| Canonical SMILES |
CSc1ccc(O[C@H]2C[C@H](N(C2)C(C)=O)C(=O)N2CCCN(CC2)C2CCC2)cc1
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| InChI |
InChI=1S/C23H33N3O3S/c1-17(27)26-16-20(29-19-7-9-21(30-2)10-8-19)15-22(26)23(28)25-12-4-11-24(13-14-25)18-5-3-6-18/h7-10,18,20,22H,3-6,11-16H2,1-2H3/t20-,22-/m0/s1
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| InChIKey |
GNICZGVXXCYLIS-UNMCSNQZSA-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