General Information of the Compound
| Compound ID |
CP0268369
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| Compound Name |
5-[1-(2-Chloro-phenyl)-meth-(Z)-ylidene]-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-aza-chrysene
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| Structure |
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| Formula |
C26H22ClNO
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| Molecular Weight |
399.921
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| Canonical SMILES |
CC1=CC(C)(C)Nc2ccc3-c4ccccc4O\C(=C/c4ccccc4Cl)c3c12
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| InChI |
InChI=1S/C26H22ClNO/c1-16-15-26(2,3)28-21-13-12-19-18-9-5-7-11-22(18)29-23(25(19)24(16)21)14-17-8-4-6-10-20(17)27/h4-15,28H,1-3H3/b23-14-
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| InChIKey |
VJIKLBRTISKGCV-UCQKPKSFSA-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: PT01172, Progesterone receptor
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000044 | CV-1 | Chlorocebus aethiops (Green monkey) | 1 |
| 1 |
IC50 > 10000 nM
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TI
LI
LO
TS
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