General Information of the Compound
| Compound ID |
CP0461644
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| Compound Name |
(S)-tert-butyl 4-(2-(benzyloxycarbonyl)-3-(4-(4-iodophenylsulfonyloxy)phenyl)propanoyl)piperazine-1-carboxylate
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| Structure |
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| Formula |
C32H36IN3O8S
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| Molecular Weight |
749.624
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCN(CC1)C(=O)[C@H](Cc1ccc(OS(=O)(=O)c2ccc(I)cc2)cc1)NC(=O)OCc1ccccc1
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| InChI |
InChI=1S/C32H36IN3O8S/c1-32(2,3)43-31(39)36-19-17-35(18-20-36)29(37)28(34-30(38)42-22-24-7-5-4-6-8-24)21-23-9-13-26(14-10-23)44-45(40,41)27-15-11-25(33)12-16-27/h4-16,28H,17-22H2,1-3H3,(H,34,38)/t28-/m0/s1
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| InChIKey |
LWBTUZSOKLTANQ-NDEPHWFRSA-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