General Information of the Compound
| Compound ID |
CP0734597
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| Compound Name |
(23S,25S)-20(R)-(1-phenylbutyl-3-hydroxy-3-methyl-pyrrolidin-2-one-5-yl)methyl-9,10-secopregna-5(Z),7(E),10(19)-triene-1alpha,3beta-diol
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| Structure |
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| Formula |
C37H53NO4
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| Molecular Weight |
575.834
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| Canonical SMILES |
C=C1/C(=C\C=C2/CCC[C@@]3(C)C2CC[C@@H]3[C@H](C)C[C@H]2C[C@](C)(O)C(=O)N2CCCCc2ccccc2)C[C@@H](O)C[C@@H]1O
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| InChI |
InChI=1S/C37H53NO4/c1-25(21-30-24-37(4,42)35(41)38(30)20-9-8-13-27-11-6-5-7-12-27)32-17-18-33-28(14-10-19-36(32,33)3)15-16-29-22-31(39)23-34(40)26(29)2/h5-7,11-12,15-16,25,30-34,39-40,42H,2,8-10,13-14,17-24H2,1,3-4H3/b28-15+,29-16-/t25-,30+,31-,32-,33?,34+,36-,37+/m1/s1
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| InChIKey |
IVUJLUOFPHOBPG-RTSNZIDXSA-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