General Information of the Compound
| Compound ID |
CP0369770
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| Compound Name |
(4R,5S)-5-(4-Chloro-phenyl)-2,2,4-trimethyl-2,3,4,5-tetrahydro-1H-6-oxa-1-aza-chrysene
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| Structure |
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| Formula |
C25H24ClNO
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| Molecular Weight |
389.926
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| Canonical SMILES |
C[C@@H]1CC(C)(C)Nc2ccc3-c4ccccc4O[C@@H](c4ccc(Cl)cc4)c3c12
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| InChI |
InChI=1S/C25H24ClNO/c1-15-14-25(2,3)27-20-13-12-19-18-6-4-5-7-21(18)28-24(23(19)22(15)20)16-8-10-17(26)11-9-16/h4-13,15,24,27H,14H2,1-3H3/t15-,24+/m1/s1
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| InChIKey |
PZQCNOKCBJYQHG-MYYSRTQBSA-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