General Information of the Compound
| Compound ID |
CP0869427
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| Compound Name |
N-((5S,8R,11R)-5-cyclopropyl-11-(4-fluorobenzyl)-7,8-dimethyl-6,9,12-trioxo-3,4,5,6,7,8,9,10,11,12,13,14,15,16-tetradecahydro-2H-benzo[q][1,4,7,10,13]oxatetraazacyclooctadecin-18-yl)methanesulfonamide
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| Structure |
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| Formula |
C30H40FN5O6S
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| Molecular Weight |
617.744
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| Canonical SMILES |
C[C@@H]1C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2cc(NS(C)(=O)=O)ccc2OCCN[C@@H](C2CC2)C(=O)N1C
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| InChI |
InChI=1S/C30H40FN5O6S/c1-19-28(37)34-25(17-20-6-10-23(31)11-7-20)29(38)33-14-4-5-22-18-24(35-43(3,40)41)12-13-26(22)42-16-15-32-27(21-8-9-21)30(39)36(19)2/h6-7,10-13,18-19,21,25,27,32,35H,4-5,8-9,14-17H2,1-3H3,(H,33,38)(H,34,37)/t19-,25-,27+/m1/s1
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| InChIKey |
TXYXKGHVOYIGIY-JRLVAEJTSA-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