General Information of the Compound
| Compound ID |
CP0913190
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| Compound Name |
rac-Benzyl [1-butyl-2,5-dioxo-9-(4-phenoxybenzyl)-1,4,9-triazaspiro[5.5]undec-3-yl]acetate hydrochloride
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| Structure |
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| Formula |
C34H40ClN3O5
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| Molecular Weight |
606.163
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| Canonical SMILES |
CCCCN1C(=O)C(CC(=O)OCc2ccccc2)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2.Cl
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| InChI |
InChI=1S/C34H39N3O5.ClH/c1-2-3-20-37-32(39)30(23-31(38)41-25-27-10-6-4-7-11-27)35-33(40)34(37)18-21-36(22-19-34)24-26-14-16-29(17-15-26)42-28-12-8-5-9-13-28;/h4-17,30H,2-3,18-25H2,1H3,(H,35,40);1H
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| InChIKey |
SSXJYJIOOSZZCI-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