General Information of the Compound
| Compound ID |
CP0426100
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| Compound Name |
(5R,8S,9S,10S,14R)-17-[(2R,4S,5R)-6-ethoxy-4,5-dihydroxy-6-methylheptan-2-yl]-4,4,8,10,14-pentamethyl-2,5,6,7,9,15-hexahydro-1H-cyclopenta[a]phenanthrene-3,16-dione
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| Structure |
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| Formula |
C32H50O5
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| Molecular Weight |
514.747
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| Canonical SMILES |
CCOC(C)(C)[C@H](O)[C@@H](O)C[C@@H](C)C1=C2C=C[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1=O
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| InChI |
InChI=1S/C32H50O5/c1-10-37-29(5,6)27(36)21(33)17-19(2)26-20-11-12-24-30(7)15-14-25(35)28(3,4)23(30)13-16-31(24,8)32(20,9)18-22(26)34/h11-12,19,21,23-24,27,33,36H,10,13-18H2,1-9H3/t19-,21+,23+,24+,27-,30+,31+,32+/m1/s1
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| InChIKey |
XJPHGGUDUPYVTN-OGHNDROQSA-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