General Information of the Compound
| Compound ID |
CP0443623
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| Compound Name |
(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-9-(2-methylallyl)-1-(prop-1-en-2-yl)icosahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid
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| Structure |
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| Formula |
C34H54O3
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| Molecular Weight |
510.803
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| Canonical SMILES |
CC(=C)C[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H]4[C@@H](CC[C@@]4(CC[C@@]32C)C(O)=O)C(C)=C)C1(C)C
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| InChI |
InChI=1S/C34H54O3/c1-21(2)20-34(37)19-16-30(7)25(29(34,5)6)13-14-32(9)26(30)11-10-24-27-23(22(3)4)12-15-33(27,28(35)36)18-17-31(24,32)8/h23-27,37H,1,3,10-20H2,2,4-9H3,(H,35,36)/t23-,24+,25-,26+,27+,30-,31+,32+,33-,34-/m0/s1
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| InChIKey |
SSGABLOYCPJMBD-AOCWAKDNSA-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