General Information of the Compound
| Compound ID |
CP0920538
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| Compound Name |
4-[4-({(3R)-1-Butyl-3-[(R)-cyclopentyl(hydroxy)methyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undec-9-yl}methyl)phenoxy]benzoic acid hydrochloride
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| Structure |
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| Formula |
C32H42ClN3O6
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| Molecular Weight |
600.156
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| Canonical SMILES |
CCCCN1C(=O)[C@@H]([C@H](O)C2CCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)O)cc3)cc1)CC2.Cl
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| InChI |
InChI=1S/C32H41N3O6.ClH/c1-2-3-18-35-29(37)27(28(36)23-6-4-5-7-23)33-31(40)32(35)16-19-34(20-17-32)21-22-8-12-25(13-9-22)41-26-14-10-24(11-15-26)30(38)39;/h8-15,23,27-28,36H,2-7,16-21H2,1H3,(H,33,40)(H,38,39);1H/t27-,28-;/m1./s1
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| InChIKey |
SRDDWTSYYBZRSG-LTRMXRMOSA-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