General Information of the Compound
| Compound ID |
CP0548133
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| Compound Name |
[2-[(6-fluoropyridin-3-yl)amino]-2-oxoethyl] (2R,4aS,6aR,6aS,14aS,14bR)-10-hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylate
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| Formula |
C36H43FN2O5
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| Molecular Weight |
602.747
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| Canonical SMILES |
CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@@](C)(CC[C@]3(C)CC[C@]12C)C(=O)OCC(=O)Nc1ccc(F)nc1
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| InChI |
InChI=1S/C36H43FN2O5/c1-21-23-8-9-26-34(4,24(23)17-25(40)30(21)42)14-16-36(6)27-18-33(3,12-11-32(27,2)13-15-35(26,36)5)31(43)44-20-29(41)39-22-7-10-28(37)38-19-22/h7-10,17,19,27,42H,11-16,18,20H2,1-6H3,(H,39,41)/t27-,32-,33-,34+,35-,36+/m1/s1
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| InChIKey |
WNISQOLBWTVPOQ-JIYWGDHNSA-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