General Information of the Compound
| Compound ID |
CP0868724
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| Compound Name |
US9427428, 14::US9433609, 14
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| Structure |
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| Formula |
C48H46N8O6
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| Molecular Weight |
830.946
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| Canonical SMILES |
COC(=O)NC(C(=O)N1CCC[C@H]1c1ncc(-c2ccc3cc(-c4ccc5nc([C@@H]6CCCN6C(=O)C(NC(=O)OC)c6ccccc6)[nH]c5c4)ccc3c2)[nH]1)c1ccccc1
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| InChI |
InChI=1S/C48H46N8O6/c1-61-47(59)53-41(29-11-5-3-6-12-29)45(57)55-23-9-15-39(55)43-49-28-38(52-43)35-20-19-31-25-32(17-18-33(31)26-35)34-21-22-36-37(27-34)51-44(50-36)40-16-10-24-56(40)46(58)42(54-48(60)62-2)30-13-7-4-8-14-30/h3-8,11-14,17-22,25-28,39-42H,9-10,15-16,23-24H2,1-2H3,(H,49,52)(H,50,51)(H,53,59)(H,54,60)/t39-,40-,41?,42?/m0/s1
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| InChIKey |
OLWUAUYJBBJFTO-YZNAZWRISA-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