General Information of the Compound
| Compound ID |
CP0569853
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| Compound Name |
[(1R)-1-[(8S,9R,10R,12R,13R,14R,17S)-8,14,17-trihydroxy-10,13-dimethyl-3-oxo-12-[(E)-3-phenylprop-2-enoyl]oxy-11,12,15,16-tetrahydro-9H-cyclopenta[a]phenanthren-17-yl]ethyl] pyridine-3-carboxylate
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| Structure |
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| Formula |
C36H37NO8
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| Molecular Weight |
611.691
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| Canonical SMILES |
C[C@@H](OC(=O)c1cccnc1)[C@]1(O)CC[C@@]2(O)[C@]1(C)[C@@H](C[C@@H]1[C@@]3(C)C=CC(=O)C=C3C=C[C@@]21O)OC(=O)\C=C\c1ccccc1
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| InChI |
InChI=1S/C36H37NO8/c1-23(44-31(40)25-10-7-19-37-22-25)34(41)17-18-36(43)33(34,3)29(45-30(39)12-11-24-8-5-4-6-9-24)21-28-32(2)15-14-27(38)20-26(32)13-16-35(28,36)42/h4-16,19-20,22-23,28-29,41-43H,17-18,21H2,1-3H3/b12-11+/t23-,28-,29-,32+,33-,34-,35+,36-/m1/s1
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| InChIKey |
WBFBBWBCQDOMRR-YOKRQOMXSA-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