General Information of the Compound
| Compound ID |
CP0476099
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| Compound Name |
N-[(4S,8E)-4-[(1R)-2-(benzylamino)-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 |
C26H34N4O6S
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| Molecular Weight |
530.647
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| Canonical SMILES |
CN(c1cc2cc(c1)C(=O)N[C@@H](COC\C=C\CCNC2=O)[C@H](O)CNCc1ccccc1)S(C)(=O)=O
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| InChI |
InChI=1S/C26H34N4O6S/c1-30(37(2,34)35)22-14-20-13-21(15-22)26(33)29-23(18-36-12-8-4-7-11-28-25(20)32)24(31)17-27-16-19-9-5-3-6-10-19/h3-6,8-10,13-15,23-24,27,31H,7,11-12,16-18H2,1-2H3,(H,28,32)(H,29,33)/b8-4+/t23-,24+/m0/s1
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| InChIKey |
LQKKTFJDANLOQB-KLBHNDCMSA-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