General Information of the Compound
| Compound ID |
CP0563475
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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-(hexadecylamino)-4-oxobutanoate
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| Formula |
C51H78ClN7O10S
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| Molecular Weight |
1016.744
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| Canonical SMILES |
CCCCCCCCCCCCCCCCNC(=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/C51H78ClN7O10S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-34-53-46(60)29-30-47(61)69-45(20-19-35-55-70(67,68)44-27-25-43(26-28-44)59(65)66)48(62)54-36-38-58-37-31-42(39-51(58)32-16-15-17-33-51)57-50(64)49(63)56-41-23-21-40(52)22-24-41/h21-28,42,45,55H,2-20,29-39H2,1H3,(H,53,60)(H,54,62)(H,56,63)(H,57,64)
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| InChIKey |
CLQPFKJBHMNKSS-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