General Information of the Compound
| Compound ID |
CP0572191
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| Compound Name |
[1-[2-[4-[[2-(4-chloroanilino)-2-oxoacetyl]amino]-1-azaspiro[5.5]undecan-1-yl]ethylamino]-5-[(4-nitrophenyl)sulfonylamino]-1-oxopentan-2-yl] 4-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]-4-oxobutanoate
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| Formula |
C46H68ClN7O15S
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| Molecular Weight |
1026.604
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| Canonical SMILES |
COCCOCCOCCOCCOCCNC(=O)CCC(=O)OC(CCCNS(=O)(=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCN1CCC(CC11CCCCC1)NC(=O)C(=O)Nc1ccc(Cl)cc1
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| InChI |
InChI=1S/C46H68ClN7O15S/c1-64-26-27-66-30-31-68-33-32-67-29-28-65-25-22-48-41(55)15-16-42(56)69-40(6-5-20-50-70(62,63)39-13-11-38(12-14-39)54(60)61)43(57)49-21-24-53-23-17-37(34-46(53)18-3-2-4-19-46)52-45(59)44(58)51-36-9-7-35(47)8-10-36/h7-14,37,40,50H,2-6,15-34H2,1H3,(H,48,55)(H,49,57)(H,51,58)(H,52,59)
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| InChIKey |
XTTZBHANUPDHTD-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