General Information of the Compound
| Compound ID |
CP0527975
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| Compound Name |
(5R,8S,9S,10S,14R,17S)-17-hydroxy-4,4,8,10,14-pentamethyl-17-[(2R,4S,5R)-4,5,6-trihydroxy-6-methylheptan-2-yl]-1,2,5,6,7,9,15,16-octahydrocyclopenta[a]phenanthrene-3,11-dione
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| Structure |
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| Formula |
C30H48O6
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| Molecular Weight |
504.708
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| Canonical SMILES |
C[C@H](C[C@H](O)[C@@H](O)C(C)(C)O)[C@@]1(O)CC[C@@]2(C)C1=CC(=O)[C@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]21C
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| InChI |
InChI=1S/C30H48O6/c1-17(15-19(32)24(34)26(4,5)35)30(36)14-13-28(7)21(30)16-18(31)23-27(6)11-10-22(33)25(2,3)20(27)9-12-29(23,28)8/h16-17,19-20,23-24,32,34-36H,9-15H2,1-8H3/t17-,19+,20+,23+,24-,27+,28+,29+,30+/m1/s1
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| InChIKey |
WSJIFVGTEOWNDG-GAGXMAOZSA-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