General Information of the Compound
| Compound ID |
CP0921643
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| Compound Name |
(S)-4-(3-(2-(1-butyl-3-(cyclohexylmethyl)-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl)ethyl)phenoxy)benzoic acid hydrochloride
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| Structure |
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| Formula |
C34H46ClN3O5
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| Molecular Weight |
612.211
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| Canonical SMILES |
CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(CCc1cccc(Oc3ccc(C(=O)O)cc3)c1)CC2.Cl
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| InChI |
InChI=1S/C34H45N3O5.ClH/c1-2-3-19-37-31(38)30(24-25-8-5-4-6-9-25)35-33(41)34(37)17-21-36(22-18-34)20-16-26-10-7-11-29(23-26)42-28-14-12-27(13-15-28)32(39)40;/h7,10-15,23,25,30H,2-6,8-9,16-22,24H2,1H3,(H,35,41)(H,39,40);1H/t30-;/m0./s1
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| InChIKey |
YEUOLVLKDZOBLT-CZCBIWLKSA-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