General Information of the Compound
| Compound ID |
CP0926760
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| Compound Name |
US9427428, 19
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| Structure |
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| Formula |
C44H54N8O6
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| Molecular Weight |
790.966
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| Canonical SMILES |
CC[C@@H](C)[C@H](NC(=O)OC)C(=O)N1CCC[C@H]1c1ncc(-c2ccc3cc(-c4ccc5nc([C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)[C@@H](C)CC)[nH]c5c4)ccc3c2)[nH]1
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| InChI |
InChI=1S/C44H54N8O6/c1-7-25(3)37(49-43(55)57-5)41(53)51-19-9-11-35(51)39-45-24-34(48-39)31-16-15-27-21-28(13-14-29(27)22-31)30-17-18-32-33(23-30)47-40(46-32)36-12-10-20-52(36)42(54)38(26(4)8-2)50-44(56)58-6/h13-18,21-26,35-38H,7-12,19-20H2,1-6H3,(H,45,48)(H,46,47)(H,49,55)(H,50,56)/t25-,26+,35+,36+,37+,38+/m1/s1
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| InChIKey |
BJUXPZIOKWCSGI-ZAGNQRLVSA-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