General Information of the Compound
| Compound ID |
CP0561269
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| Compound Name |
[2-(16-acetyloxy-5,14-dimethyl-3-oxo-6,7,8,9,10,11,12,13,15,17-decahydro-4H-cyclopenta[a]phenanthren-16-yl)-2-oxoethyl] furan-2-carboxylate
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| Structure |
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| Formula |
C28H34O7
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| Molecular Weight |
482.573
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| Canonical SMILES |
CC(=O)OC1(CC2CCC3C(CCC4(C)CC(=O)C=CC34)C2(C)C1)C(=O)COC(=O)c1ccco1
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| InChI |
InChI=1S/C28H34O7/c1-17(29)35-28(24(31)15-34-25(32)23-5-4-12-33-23)13-18-6-8-20-21-9-7-19(30)14-26(21,2)11-10-22(20)27(18,3)16-28/h4-5,7,9,12,18,20-22H,6,8,10-11,13-16H2,1-3H3
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| InChIKey |
AQAJRIFORUJTLQ-UHFFFAOYSA-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