General Information of the Compound
| Compound ID |
CP0449746
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| Compound Name |
3-(4-(3-((7R,8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13,17-trimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-7-yl)propyl)phenoxy)propanoic acid
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| Structure |
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| Formula |
C32H44O5
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| Molecular Weight |
508.699
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| Canonical SMILES |
C[C@]1(O)CC[C@H]2[C@@H]3[C@H](CCCc4ccc(OCCC(O)=O)cc4)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
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| InChI |
InChI=1S/C32H44O5/c1-30-15-11-24(33)20-23(30)19-22(29-26(30)12-16-31(2)27(29)13-17-32(31,3)36)6-4-5-21-7-9-25(10-8-21)37-18-14-28(34)35/h7-10,20,22,26-27,29,36H,4-6,11-19H2,1-3H3,(H,34,35)/t22-,26+,27+,29-,30+,31+,32+/m1/s1
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| InChIKey |
SNRZNTGHDVJRHR-LFIWHKQASA-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