General Information of the Compound
| Compound ID |
CP0561497
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| Compound Name |
US9221831, 44
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| Structure |
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| Formula |
C27H37N3O4
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| Molecular Weight |
467.61
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| Canonical SMILES |
COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1CNCC(N)=O)OC
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| InChI |
InChI=1S/C27H37N3O4/c1-32-19-6-5-17-11-20-25-7-8-27(33-2,18(12-25)13-29-14-21(28)31)24-26(25,22(17)23(19)34-24)9-10-30(20)15-16-3-4-16/h5-6,16,18,20,24,29H,3-4,7-15H2,1-2H3,(H2,28,31)/t18-,20-,24-,25-,26+,27-/m1/s1
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| InChIKey |
MMRPUCTUTXECKQ-QXIQULQJSA-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