General Information of the Compound
| Compound ID |
CP0923330
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| Compound Name |
US9427428, 6::US9433609, 6
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| Structure |
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| Formula |
C40H46N8O8
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| Molecular Weight |
766.856
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| Canonical SMILES |
COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3cc(-c4ccc5nc([C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)[C@@H](C)O)[nH]c5c4)ccc3c2)[nH]1)[C@@H](C)O
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| InChI |
InChI=1S/C40H46N8O8/c1-21(49)33(45-39(53)55-3)37(51)47-15-5-7-31(47)35-41-20-30(44-35)27-12-11-23-17-24(9-10-25(23)18-27)26-13-14-28-29(19-26)43-36(42-28)32-8-6-16-48(32)38(52)34(22(2)50)46-40(54)56-4/h9-14,17-22,31-34,49-50H,5-8,15-16H2,1-4H3,(H,41,44)(H,42,43)(H,45,53)(H,46,54)/t21-,22-,31+,32+,33+,34+/m1/s1
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| InChIKey |
PWHNJOPWDWZRED-WYTQEFFASA-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