General Information of the Compound
| Compound ID |
CP0816543
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| Compound Name |
(23S,25S)-20(R)-(1-phenylpropyl-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 |
C36H51NO4
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| Molecular Weight |
561.807
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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)N2CCCc2ccccc2)C[C@@H](O)C[C@@H]1O
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| InChI |
InChI=1S/C36H51NO4/c1-24(20-29-23-36(4,41)34(40)37(29)19-9-12-26-10-6-5-7-11-26)31-16-17-32-27(13-8-18-35(31,32)3)14-15-28-21-30(38)22-33(39)25(28)2/h5-7,10-11,14-15,24,29-33,38-39,41H,2,8-9,12-13,16-23H2,1,3-4H3/b27-14+,28-15-/t24-,29+,30-,31-,32?,33+,35-,36+/m1/s1
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| InChIKey |
JOEKJFCNQQZWMQ-JSXBBLNNSA-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