General Information of the Compound
| Compound ID |
CP0473321
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| Compound Name |
[(3R,4S,6R)-2,4-dihydroxy-2-methyl-6-[(5R,8S,9S,10R,14R)-4,4,8,10,14-pentamethyl-3-oxo-1,2,5,6,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-17-yl]heptan-3-yl] acetate
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| Structure |
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| Formula |
C32H52O5
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| Molecular Weight |
516.763
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| Canonical SMILES |
C[C@H](C[C@H](O)[C@@H](OC(C)=O)C(C)(C)O)C1=C2CC[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1
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| InChI |
InChI=1S/C32H52O5/c1-19(18-23(34)27(29(5,6)36)37-20(2)33)21-12-16-31(8)22(21)10-11-25-30(7)15-14-26(35)28(3,4)24(30)13-17-32(25,31)9/h19,23-25,27,34,36H,10-18H2,1-9H3/t19-,23+,24+,25+,27-,30+,31+,32+/m1/s1
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| InChIKey |
YXPPAEOSVBKNSF-PVDPLZRQSA-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