General Information of the Compound
| Compound ID |
CP0048271
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| Compound Name |
N-[(4S,8E)-4-[(1R)-2-[(3-tert-butylphenyl)methylamino]-1-hydroxyethyl]-2,13-dioxo-6-oxa-3,12-diazabicyclo[12.3.1]octadeca-1(17),8,14(18),15-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 |
CN(c1cc2cc(c1)C(=O)N[C@@H](COC\C=C\CCNC2=O)[C@H](O)CNCc1cccc(c1)C(C)(C)C)S(C)(=O)=O
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| InChI |
InChI=1S/C30H42N4O6S/c1-30(2,3)24-11-9-10-21(14-24)18-31-19-27(35)26-20-40-13-8-6-7-12-32-28(36)22-15-23(29(37)33-26)17-25(16-22)34(4)41(5,38)39/h6,8-11,14-17,26-27,31,35H,7,12-13,18-20H2,1-5H3,(H,32,36)(H,33,37)/b8-6+/t26-,27+/m0/s1
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| InChIKey |
MIJJZFPWMIQONO-OTQKIKBLSA-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