General Information of the Compound
| Compound ID |
CP0561031
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| Compound Name |
US9221831, 15
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| Structure |
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| Formula |
C31H36FNO3
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| Molecular Weight |
489.631
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| Canonical SMILES |
CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(F)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
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| InChI |
InChI=1S/C31H36FNO3/c1-34-31-12-11-29(16-23(31)19-35-18-21-5-3-2-4-6-21)25-15-22-9-10-24(32)27-26(22)30(29,28(31)36-27)13-14-33(25)17-20-7-8-20/h2-6,9-10,20,23,25,28H,7-8,11-19H2,1H3/t23-,25-,28-,29-,30+,31-/m1/s1
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| InChIKey |
WMVWSQOJKZZWCI-VTPACTEHSA-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