General Information of the Compound
| Compound ID |
CP0520003
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| Compound Name |
[(3S,5S,9R,10S,13R,14R,17R)-17-[(2S)-1-formyloxypropan-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
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| Structure |
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| Formula |
C25H38O4
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| Molecular Weight |
402.575
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| Canonical SMILES |
C[C@H](COC=O)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O
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| InChI |
InChI=1S/C25H38O4/c1-16(14-28-15-26)21-7-8-22-20-6-5-18-13-19(29-17(2)27)9-11-24(18,3)23(20)10-12-25(21,22)4/h6,15-16,18-19,21-23H,5,7-14H2,1-4H3/t16-,18+,19+,21-,22+,23+,24+,25-/m1/s1
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| InChIKey |
ZMSGAXSBKXUQKY-PUCUFLQQSA-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