General Information of the Compound
| Compound ID |
CP0443572
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| Compound Name |
[(6aR,9R,10aR)-1,9-dihydroxy-6,6-dimethyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-3-yl]-(3-fluoropyridin-4-yl)methanone
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| Structure |
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| Formula |
C21H22FNO4
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| Molecular Weight |
371.408
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| Canonical SMILES |
CC1(C)Oc2cc(cc(O)c2[C@@H]2C[C@H](O)CC[C@@H]12)C(=O)c1ccncc1F
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| InChI |
InChI=1S/C21H22FNO4/c1-21(2)15-4-3-12(24)9-14(15)19-17(25)7-11(8-18(19)27-21)20(26)13-5-6-23-10-16(13)22/h5-8,10,12,14-15,24-25H,3-4,9H2,1-2H3/t12-,14-,15-/m1/s1
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| InChIKey |
FBEXVAVNGADXIX-BPLDGKMQSA-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