General Information of the Compound
| Compound ID |
CP0568365
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| Compound Name |
2-[[(1R)-1-[4-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]-5-chlorophenyl]phenyl]ethyl]-(cyclopropylmethyl)amino]-5-cyclopropyl-N-cyclopropylsulfonyl-1,3-thiazole-4-carboxamide
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| Structure |
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| Formula |
C43H58ClN7O10S2
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| Molecular Weight |
932.563
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| Canonical SMILES |
C[C@@H](N(CC1CC1)c1nc(C(=O)NS(=O)(=O)C2CC2)c(s1)C1CC1)c1ccc(cc1)-c1cc(Cl)ccc1C(=O)NCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-]
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| InChI |
InChI=1S/C43H58ClN7O10S2/c1-30(51(29-31-2-3-31)43-48-39(40(62-43)34-8-9-34)42(53)49-63(54,55)36-11-12-36)32-4-6-33(7-5-32)38-28-35(44)10-13-37(38)41(52)46-14-16-56-18-20-58-22-24-60-26-27-61-25-23-59-21-19-57-17-15-47-50-45/h4-7,10,13,28,30-31,34,36H,2-3,8-9,11-12,14-27,29H2,1H3,(H,46,52)(H,49,53)/t30-/m1/s1
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| InChIKey |
WGYQKUCNLSQDGY-SSEXGKCCSA-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