General Information of the Compound
| Compound ID |
CP0443098
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| Compound Name |
US8816088, 7
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| Structure |
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| Formula |
C44H50N6O7
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| Molecular Weight |
774.919
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| Canonical SMILES |
CN(CCCC(=O)Nc1cccc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)c1)C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1
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| InChI |
InChI=1S/C44H50N6O7/c1-49(42(55)22-26-50-24-20-33(21-25-50)57-44(56)47-37-14-6-5-13-34(37)31-10-3-2-4-11-31)23-8-15-40(53)46-32-12-7-9-30(27-32)28-45-29-39(52)35-16-18-38(51)43-36(35)17-19-41(54)48-43/h2-7,9-14,16-19,27,33,39,45,51-52H,8,15,20-26,28-29H2,1H3,(H,46,53)(H,47,56)(H,48,54)/t39-/m0/s1
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| InChIKey |
KVMMKDMMCQUAMU-KDXMTYKHSA-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