General Information of the Compound
| Compound ID |
CP0376523
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| Compound Name |
(1S,12S,15S,20R)-15-hydroxy-1,16,16,20-tetramethyl-3-azapentacyclo[10.8.0.02,10.04,9.015,20]icosa-2(10),4,6,8-tetraen-17-one
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| Structure |
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| Formula |
C23H29NO2
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| Molecular Weight |
351.49
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| Canonical SMILES |
C[C@@]12[C@H](Cc3c1[nH]c1ccccc31)CC[C@@]1(O)C(C)(C)C(=O)CC[C@]21C
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| InChI |
InChI=1S/C23H29NO2/c1-20(2)18(25)10-11-21(3)22(4)14(9-12-23(20,21)26)13-16-15-7-5-6-8-17(15)24-19(16)22/h5-8,14,24,26H,9-13H2,1-4H3/t14-,21+,22+,23+/m0/s1
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| InChIKey |
JQTRPSHLFTZYHC-SESVXGAZSA-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: PT00894, Androgen receptor
Protein ID: PT00886, Estrogen receptor
Protein ID: PT00889, Estrogen receptor beta
Protein ID: PT01172, Progesterone receptor