General Information of the Compound
| Compound ID |
CP0908125
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| Compound Name |
SID85797536
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| Structure |
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| Formula |
C36H52N4O6
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| Molecular Weight |
636.834
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| Canonical SMILES |
C[C@@H]1CCCCO[C@H](CN(C)C(=O)C2CCCCC2)[C@@H](C)CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2O1
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| InChI |
InChI=1S/C36H52N4O6/c1-25-22-40(26(2)24-41)35(43)31-21-30(38-36(44)37-29-16-9-6-10-17-29)18-19-32(31)46-27(3)13-11-12-20-45-33(25)23-39(4)34(42)28-14-7-5-8-15-28/h6,9-10,16-19,21,25-28,33,41H,5,7-8,11-15,20,22-24H2,1-4H3,(H2,37,38,44)/t25-,26-,27+,33+/m0/s1
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| InChIKey |
JXPVOOMRKPVBDG-SQQWPVGBSA-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