General Information of the Compound
| Compound ID |
CP0549116
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| Compound Name |
(2S,4R)-4-[(3R,5R,6R,7R,8S,9S,10S,12S,13R,14R,17R)-6-ethyl-3,7,12-trihydroxy-10-methyl-1,2,3,4,5,6,7,8,9,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-17-yl]-2-methylpentanoic acid
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| Formula |
C26H44O5
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| Molecular Weight |
436.633
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| Canonical SMILES |
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)C[C@H](C)C(O)=O)[C@H]3[C@@H](O)C[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@H]12
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| InChI |
InChI=1S/C26H44O5/c1-5-16-19-11-15(27)8-9-26(19,4)20-12-21(28)22-17(13(2)10-14(3)25(30)31)6-7-18(22)23(20)24(16)29/h13-24,27-29H,5-12H2,1-4H3,(H,30,31)/t13-,14+,15-,16-,17-,18-,19-,20+,21+,22-,23+,24-,26+/m1/s1
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| InChIKey |
IDGLEGDIDGHDEN-SRPYGMRZSA-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