General Information of the Compound
| Compound ID |
CP0756560
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| Compound Name |
(S)-4-(4-((1-butyl-3-(cyclohexylmethyl)-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl)methyl)phenoxy)benzoic acid hydrochloride
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| Structure |
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| Formula |
C33H44ClN3O5
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| Molecular Weight |
598.184
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| Canonical SMILES |
CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)O)cc3)cc1)CC2.Cl
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| InChI |
InChI=1S/C33H43N3O5.ClH/c1-2-3-19-36-30(37)29(22-24-7-5-4-6-8-24)34-32(40)33(36)17-20-35(21-18-33)23-25-9-13-27(14-10-25)41-28-15-11-26(12-16-28)31(38)39;/h9-16,24,29H,2-8,17-23H2,1H3,(H,34,40)(H,38,39);1H/t29-;/m0./s1
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| InChIKey |
YOZKWQSSNGTVAW-JMAPEOGHSA-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