General Information of the Compound
| Compound ID |
CP0425652
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| Compound Name |
N-(4-aminobutyl)-2-[8-(4-tert-butylbenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
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| Structure |
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| Formula |
C30H41N5O3
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| Molecular Weight |
519.69
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)C(=O)N1CCC2(CC1)N(CN(CC(=O)NCCCCN)C2=O)c1ccccc1
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| InChI |
InChI=1S/C30H41N5O3/c1-29(2,3)24-13-11-23(12-14-24)27(37)33-19-15-30(16-20-33)28(38)34(21-26(36)32-18-8-7-17-31)22-35(30)25-9-5-4-6-10-25/h4-6,9-14H,7-8,15-22,31H2,1-3H3,(H,32,36)
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| InChIKey |
LWOHMLRAMXHLMP-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