General Information of the Compound
| Compound ID |
CP0416784
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| Compound Name |
N-[(4S,8E)-4-[(1R)-1-hydroxy-2-[(3-propan-2-ylphenyl)methylamino]ethyl]-2,14-dioxo-6-oxa-3,13-diazabicyclo[13.3.1]nonadeca-1(18),8,15(19),16-tetraen-17-yl]-N-methylmethanesulfonamide
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| Structure |
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| Formula |
C30H42N4O6S
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| Molecular Weight |
586.755
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| Canonical SMILES |
CC(C)c1cccc(CNC[C@@H](O)[C@@H]2COC\C=C\CCCNC(=O)c3cc(cc(c3)C(=O)N2)N(C)S(C)(=O)=O)c1
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| InChI |
InChI=1S/C30H42N4O6S/c1-21(2)23-11-9-10-22(14-23)18-31-19-28(35)27-20-40-13-8-6-5-7-12-32-29(36)24-15-25(30(37)33-27)17-26(16-24)34(3)41(4,38)39/h6,8-11,14-17,21,27-28,31,35H,5,7,12-13,18-20H2,1-4H3,(H,32,36)(H,33,37)/b8-6+/t27-,28+/m0/s1
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| InChIKey |
PDQRIFLZLJPPAY-MBLVZZAPSA-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