General Information of the Compound
| Compound ID |
CP0520739
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| Compound Name |
[5-amino-1-[2-[4-[[2-(4-chloroanilino)-2-oxoacetyl]amino]-1-azaspiro[5.5]undecan-1-yl]ethylamino]-1-oxopentan-2-yl] 4-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]-4-oxobutanoate
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| Formula |
C40H65ClN6O11
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| Molecular Weight |
841.444
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| Canonical SMILES |
COCCOCCOCCOCCOCCNC(=O)CCC(=O)OC(CCCN)C(=O)NCCN1CCC(CC11CCCCC1)NC(=O)C(=O)Nc1ccc(Cl)cc1
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| InChI |
InChI=1S/C40H65ClN6O11/c1-53-22-23-55-26-27-57-29-28-56-25-24-54-21-18-43-35(48)11-12-36(49)58-34(6-5-16-42)37(50)44-17-20-47-19-13-33(30-40(47)14-3-2-4-15-40)46-39(52)38(51)45-32-9-7-31(41)8-10-32/h7-10,33-34H,2-6,11-30,42H2,1H3,(H,43,48)(H,44,50)(H,45,51)(H,46,52)
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| InChIKey |
QHOTTZWILNLVKK-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