General Information of the Compound
| Compound ID |
CP0570869
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| Compound Name |
N'-[(2S)-1-[2-[4-[[2-(4-chloroanilino)-2-oxoacetyl]amino]-1-azaspiro[5.5]undecan-1-yl]ethylamino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-N-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]butanediamide
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| Formula |
C41H68ClN9O10
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| Molecular Weight |
882.501
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| Canonical SMILES |
COCCOCCOCCOCCOCCNC(=O)CCC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCN1CCC(CC11CCCCC1)NC(=O)C(=O)Nc1ccc(Cl)cc1
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| InChI |
InChI=1S/C41H68ClN9O10/c1-57-22-23-59-26-27-61-29-28-60-25-24-58-21-18-45-35(52)11-12-36(53)50-34(6-5-16-47-40(43)44)37(54)46-17-20-51-19-13-33(30-41(51)14-3-2-4-15-41)49-39(56)38(55)48-32-9-7-31(42)8-10-32/h7-10,33-34H,2-6,11-30H2,1H3,(H,45,52)(H,46,54)(H,48,55)(H,49,56)(H,50,53)(H4,43,44,47)/t33?,34-/m0/s1
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| InChIKey |
HYZZUMRPJYAMQC-DNKZHYAASA-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