General Information of the Compound
| Compound ID |
CP0501911
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| Compound Name |
ethyl 1-[2-[8-(4-tert-butylbenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetyl]piperidine-3-carboxylate
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| Structure |
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| Formula |
C34H44N4O5
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| Molecular Weight |
588.749
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| Canonical SMILES |
CCOC(=O)C1CCCN(C1)C(=O)CN1CN(c2ccccc2)C2(CCN(CC2)C(=O)c2ccc(cc2)C(C)(C)C)C1=O
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| InChI |
InChI=1S/C34H44N4O5/c1-5-43-31(41)26-10-9-19-36(22-26)29(39)23-37-24-38(28-11-7-6-8-12-28)34(32(37)42)17-20-35(21-18-34)30(40)25-13-15-27(16-14-25)33(2,3)4/h6-8,11-16,26H,5,9-10,17-24H2,1-4H3
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| InChIKey |
UOSZUYQZZPFRAK-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