General Information of the Compound
| Compound ID |
CP0428068
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| Compound Name |
(8S,11R,13S,14S,17R)-17-allyl-11-(4-(diphenylphosphoryl)phenyl)-17-hydroxy-13-methyl-1,2,7,8,11,12,13,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3(14H)-one
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| Structure |
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| Formula |
C39H41O3P
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| Molecular Weight |
588.728
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| Canonical SMILES |
C[C@]12C[C@@H](C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@]2(O)CC=C)c1ccc(cc1)P(=O)(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C39H41O3P/c1-3-23-39(41)24-22-36-34-20-16-28-25-29(40)17-21-33(28)37(34)35(26-38(36,39)2)27-14-18-32(19-15-27)43(42,30-10-6-4-7-11-30)31-12-8-5-9-13-31/h3-15,18-19,25,34-36,41H,1,16-17,20-24,26H2,2H3/t34-,35+,36-,38-,39-/m0/s1
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| InChIKey |
BYVDCSLCMPQTKD-LGTDJHALSA-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
Protein ID: PT00967, Glucocorticoid receptor
Protein ID: PT01172, Progesterone receptor