General Information of the Compound
| Compound ID |
CP0484017
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| Compound Name |
US9221831, 55
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| Structure |
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| Formula |
C29H38N2O5
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| Molecular Weight |
494.632
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| Canonical SMILES |
CCCc1cc(COC[C@H]2C[C@]34CC[C@]2(OC)[C@@H]2Oc5c6c(C[C@H]3N(C)CC[C@@]426)ccc5OC)on1
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| InChI |
InChI=1S/C29H38N2O5/c1-5-6-20-14-21(36-30-20)17-34-16-19-15-27-9-10-29(19,33-4)26-28(27)11-12-31(2)23(27)13-18-7-8-22(32-3)25(35-26)24(18)28/h7-8,14,19,23,26H,5-6,9-13,15-17H2,1-4H3/t19-,23-,26-,27-,28+,29-/m1/s1
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| InChIKey |
VGPKXDDDJZDRDW-NWCUSBOBSA-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