General Information of the Compound
| Compound ID |
CP0178511
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| Compound Name |
N-[(4S,8E)-4-[(1R)-1-hydroxy-2-[(3-propan-2-ylphenyl)methylamino]ethyl]-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 |
C29H40N4O6S
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| Molecular Weight |
572.728
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| Canonical SMILES |
CC(C)c1cccc(CNC[C@@H](O)[C@@H]2COC\C=C\CCNC(=O)c3cc(cc(c3)C(=O)N2)N(C)S(C)(=O)=O)c1
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| InChI |
InChI=1S/C29H40N4O6S/c1-20(2)22-10-8-9-21(13-22)17-30-18-27(34)26-19-39-12-7-5-6-11-31-28(35)23-14-24(29(36)32-26)16-25(15-23)33(3)40(4,37)38/h5,7-10,13-16,20,26-27,30,34H,6,11-12,17-19H2,1-4H3,(H,31,35)(H,32,36)/b7-5+/t26-,27+/m0/s1
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| InChIKey |
MEKPYLBTTKGXAX-VDGLFCQGSA-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