General Information of the Compound
| Compound ID |
CP0557545
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| Compound Name |
US9221831, 24
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| Structure |
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| Formula |
C28H36N2O5
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| Molecular Weight |
480.605
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| Canonical SMILES |
COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1c(C)noc1C)OC
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| InChI |
InChI=1S/C28H36N2O5/c1-16-20(17(2)35-29-16)15-33-14-19-13-26-8-9-28(19,32-5)25-27(26)10-11-30(3)22(26)12-18-6-7-21(31-4)24(34-25)23(18)27/h6-7,19,22,25H,8-15H2,1-5H3/t19-,22-,25-,26-,27+,28-/m1/s1
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| InChIKey |
YSFWOXQJZZJOCO-SDNJBTIHSA-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