General Information of the Compound
| Compound ID |
CP0388062
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| Compound Name |
(S)-tert-butyl 4-(2-(benzyloxycarbonyl)-3-(4-(tosyloxy)phenyl)propanoyl)piperazine-1-carboxylate
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| Structure |
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| Formula |
C33H39N3O8S
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| Molecular Weight |
637.755
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| Canonical SMILES |
Cc1ccc(cc1)S(=O)(=O)Oc1ccc(C[C@H](NC(=O)OCc2ccccc2)C(=O)N2CCN(CC2)C(=O)OC(C)(C)C)cc1
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| InChI |
InChI=1S/C33H39N3O8S/c1-24-10-16-28(17-11-24)45(40,41)44-27-14-12-25(13-15-27)22-29(34-31(38)42-23-26-8-6-5-7-9-26)30(37)35-18-20-36(21-19-35)32(39)43-33(2,3)4/h5-17,29H,18-23H2,1-4H3,(H,34,38)/t29-/m0/s1
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| InChIKey |
KHDJEDOWASHAML-LJAQVGFWSA-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