General Information of the Compound
| Compound ID |
CP0479756
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| Compound Name |
US9388162, 74
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| Structure |
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| Formula |
C23H31NO2
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| Molecular Weight |
353.506
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| Canonical SMILES |
CC(C)[C@H]1C[C@H]2[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CC2)CC1=O
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| InChI |
InChI=1S/C23H31NO2/c1-14(2)18-11-20-21-9-16-5-6-17(25)10-19(16)23(20,12-22(18)26)7-8-24(21)13-15-3-4-15/h5-6,10,14-15,18,20-21,25H,3-4,7-9,11-13H2,1-2H3/t18-,20+,21-,23-/m1/s1
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| InChIKey |
JIYAXHKPIXIXDQ-ZVXPMLRVSA-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