General Information of the Compound
| Compound ID |
CP0573036
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| Compound Name |
2-[[(1R)-1-[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxymethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]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 |
C76H124ClN7O27S2
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| Molecular Weight |
1667.437
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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)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCOCCOCCOCCOCCN=[N+]=[N-]
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| InChI |
InChI=1S/C76H124ClN7O27S2/c1-63(84(61-64-2-3-64)76-81-72(73(112-76)67-8-9-67)75(86)82-113(87,88)69-11-12-69)65-4-6-66(7-5-65)71-60-68(77)10-13-70(71)74(85)79-14-16-89-18-20-91-22-23-93-24-25-94-26-27-95-28-29-96-30-31-97-32-33-98-34-35-99-36-37-100-38-39-101-40-41-102-42-43-103-44-45-104-46-47-105-48-49-106-50-51-107-53-55-109-57-59-111-62-110-58-56-108-54-52-92-21-19-90-17-15-80-83-78/h4-7,10,13,60,63-64,67,69H,2-3,8-9,11-12,14-59,61-62H2,1H3,(H,79,85)(H,82,86)/t63-/m1/s1
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| InChIKey |
PEWIBHKJSPHMGG-AFLCPGBUSA-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