General Information of the Compound
| Compound ID |
CP0057476
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| Compound Name |
(5S,8S,9S,10S,11S,14R)-11-hydroxy-4,8,10,14-tetramethyl-17-[(2R,4S,5R)-4,5,6-trihydroxy-6-methylheptan-2-yl]-5,6,7,9,11,12,15,16-octahydro-1H-cyclopenta[a]phenanthren-2-one
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| Structure |
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| Formula |
C29H46O5
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| Molecular Weight |
474.682
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| Canonical SMILES |
C[C@H](C[C@H](O)[C@@H](O)C(C)(C)O)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CC(=O)C=C(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1
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| InChI |
InChI=1S/C29H46O5/c1-16(13-23(32)25(33)26(3,4)34)19-8-10-28(6)21(19)14-22(31)24-27(5)15-18(30)12-17(2)20(27)9-11-29(24,28)7/h12,16,20,22-25,31-34H,8-11,13-15H2,1-7H3/t16-,20+,22+,23+,24+,25-,27+,28+,29+/m1/s1
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| InChIKey |
DCYOPZMJKBYLCO-QJDZRUNDSA-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