General Information of the Compound
| Compound ID |
CP0450949
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| Compound Name |
N'-(4-chlorophenyl)-N-[1-[2-[8-(diaminomethylideneamino)octanoylamino]ethyl]-1-azaspiro[5.5]undecan-4-yl]oxamide
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| Formula |
C29H46ClN7O3
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| Molecular Weight |
576.186
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| Canonical SMILES |
NC(=N)NCCCCCCCC(=O)NCCN1CCC(CC11CCCCC1)NC(=O)C(=O)Nc1ccc(Cl)cc1
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| InChI |
InChI=1S/C29H46ClN7O3/c30-22-10-12-23(13-11-22)35-26(39)27(40)36-24-14-19-37(29(21-24)15-6-4-7-16-29)20-18-33-25(38)9-5-2-1-3-8-17-34-28(31)32/h10-13,24H,1-9,14-21H2,(H,33,38)(H,35,39)(H,36,40)(H4,31,32,34)
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| InChIKey |
NCEXLSIQEDUPEZ-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