General Information of the Compound
| Compound ID |
CP0570098
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| Compound Name |
[1-[2-[4-[[2-(4-chloroanilino)-2-oxoacetyl]amino]-1-azaspiro[5.5]undecan-1-yl]ethylamino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl] 4-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]-4-oxobutanoate
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| Formula |
C41H67ClN8O11
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| Molecular Weight |
883.485
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| Canonical SMILES |
COCCOCCOCCOCCOCCNC(=O)CCC(=O)OC(CCCNC(N)=N)C(=O)NCCN1CCC(CC11CCCCC1)NC(=O)C(=O)Nc1ccc(Cl)cc1
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| InChI |
InChI=1S/C41H67ClN8O11/c1-56-22-23-58-26-27-60-29-28-59-25-24-57-21-18-45-35(51)11-12-36(52)61-34(6-5-16-47-40(43)44)37(53)46-17-20-50-19-13-33(30-41(50)14-3-2-4-15-41)49-39(55)38(54)48-32-9-7-31(42)8-10-32/h7-10,33-34H,2-6,11-30H2,1H3,(H,45,51)(H,46,53)(H,48,54)(H,49,55)(H4,43,44,47)
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| InChIKey |
KPINBKJJMKRWJU-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