General Information of the Compound
| Compound ID |
CP0402423
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| Compound Name |
3-[(8R,9S,13S,14S,15S,17S)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-15-yl]propanoic acid
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| Structure |
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| Formula |
C21H28O4
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| Molecular Weight |
344.451
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| Canonical SMILES |
C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1[C@@H](CCC(O)=O)C[C@@H]2O
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| InChI |
InChI=1S/C21H28O4/c1-21-9-8-16-15-6-4-14(22)10-12(15)2-5-17(16)20(21)13(11-18(21)23)3-7-19(24)25/h4,6,10,13,16-18,20,22-23H,2-3,5,7-9,11H2,1H3,(H,24,25)/t13-,16+,17+,18-,20-,21+/m0/s1
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| InChIKey |
KUIIGYWWSATEKH-HMLJSJRSSA-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