General Information of the Compound
| Compound ID |
CP0418589
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| Compound Name |
N'-(4-chlorophenyl)-N-[1-[2-[5-(diaminomethylideneamino)pentanoylamino]ethyl]-1-azaspiro[5.5]undecan-4-yl]oxamide
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| Structure |
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| Formula |
C26H40ClN7O3
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| Molecular Weight |
534.105
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| Canonical SMILES |
NC(=N)NCCCCC(=O)NCCN1CCC(CC11CCCCC1)NC(=O)C(=O)Nc1ccc(Cl)cc1
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| InChI |
InChI=1S/C26H40ClN7O3/c27-19-7-9-20(10-8-19)32-23(36)24(37)33-21-11-16-34(26(18-21)12-3-1-4-13-26)17-15-30-22(35)6-2-5-14-31-25(28)29/h7-10,21H,1-6,11-18H2,(H,30,35)(H,32,36)(H,33,37)(H4,28,29,31)
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| InChIKey |
NFDAXDYPSSRZOD-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