General Information of the Compound
| Compound ID |
CP0578702
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| Compound Name |
US9056836, 12
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| Structure |
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| Formula |
C24H32N2O4
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| Molecular Weight |
412.53
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| Canonical SMILES |
CN(C)C(=O)CCC[C@]12CCN(CC3CC3)[C@H](Cc3ccc(O)cc13)\C2=C/C(O)=O
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| InChI |
InChI=1S/C24H32N2O4/c1-25(2)22(28)4-3-9-24-10-11-26(15-16-5-6-16)21(20(24)14-23(29)30)12-17-7-8-18(27)13-19(17)24/h7-8,13-14,16,21,27H,3-6,9-12,15H2,1-2H3,(H,29,30)/b20-14+/t21-,24+/m1/s1
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| InChIKey |
IUXUZRJZQSFDSE-YAMOPBLLSA-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