General Information of the Compound
| Compound ID |
CP0567191
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| Compound Name |
(2R,4S,7S)-7-tert-butyl-N-[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-2-methoxy-6,9-dioxo-10,16-dioxa-5,8-diazatetracyclo[15.5.3.12,5.020,24]hexacosa-1(23),17(25),18,20(24),21-pentaene-4-carboxamide
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| Structure |
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| Formula |
C37H48N4O9S
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| Molecular Weight |
724.877
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| Canonical SMILES |
CO[C@@]12C[C@H](N(C1)C(=O)[C@@H](NC(=O)OCCCCCOc1ccc3ccc2cc3c1)C(C)(C)C)C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1
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| InChI |
InChI=1S/C37H48N4O9S/c1-6-25-20-37(25,33(44)40-51(46,47)28-14-15-28)39-31(42)29-21-36(48-5)22-41(29)32(43)30(35(2,3)4)38-34(45)50-17-9-7-8-16-49-27-13-11-23-10-12-26(36)18-24(23)19-27/h6,10-13,18-19,25,28-30H,1,7-9,14-17,20-22H2,2-5H3,(H,38,45)(H,39,42)(H,40,44)/t25-,29+,30-,36+,37-/m1/s1
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| InChIKey |
QOAMSTDXGATQAD-QUUVPDOLSA-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