General Information of the Compound
| Compound ID |
CP0484177
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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-(hexadecylamino)-4-oxobutanoate
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| Formula |
C45H75ClN6O6
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| Molecular Weight |
831.584
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| Canonical SMILES |
CCCCCCCCCCCCCCCCNC(=O)CCC(=O)OC(CCCN)C(=O)NCCN1CCC(CC11CCCCC1)NC(=O)C(=O)Nc1ccc(Cl)cc1
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| InChI |
InChI=1S/C45H75ClN6O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-31-48-40(53)25-26-41(54)58-39(20-19-30-47)42(55)49-32-34-52-33-27-38(35-45(52)28-16-15-17-29-45)51-44(57)43(56)50-37-23-21-36(46)22-24-37/h21-24,38-39H,2-20,25-35,47H2,1H3,(H,48,53)(H,49,55)(H,50,56)(H,51,57)
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| InChIKey |
XBKNKYKTXRAAEO-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