General Information of the Compound
| Compound ID |
CP0416782
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| Compound Name |
N-[(4S,8Z)-4-[(1R)-1-hydroxy-2-[(3-propan-2-ylphenyl)methylamino]ethyl]-12-methyl-2,13-dioxo-6-oxa-3,12-diazabicyclo[12.3.1]octadeca-1(18),8,14,16-tetraen-16-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/CCN(C)C(=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)27-20-40-13-8-6-7-12-33(3)30(37)25-15-24(29(36)32-27)16-26(17-25)34(4)41(5,38)39/h6,8-11,14-17,21,27-28,31,35H,7,12-13,18-20H2,1-5H3,(H,32,36)/b8-6-/t27-,28+/m0/s1
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| InChIKey |
JHWZSJJIDCNNBH-NTIAGLRXSA-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