General Information of the Compound
| Compound ID |
CP0209382
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| Compound Name |
4-[2-[(4aR,11R,11aS)-11-methyl-9-(trifluoromethyl)-1,3,4,4a,5,6,11,11a-octahydropyrido[4,3-b]carbazol-2-yl]ethyl]morpholin-3-one
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| Structure |
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| Formula |
C23H28F3N3O2
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| Molecular Weight |
435.49
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| Canonical SMILES |
C[C@@H]1[C@H]2CN(CCN3CCOCC3=O)CC[C@@H]2Cc2[nH]c3ccc(cc3c12)C(F)(F)F
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| InChI |
InChI=1S/C23H28F3N3O2/c1-14-18-12-28(6-7-29-8-9-31-13-21(29)30)5-4-15(18)10-20-22(14)17-11-16(23(24,25)26)2-3-19(17)27-20/h2-3,11,14-15,18,27H,4-10,12-13H2,1H3/t14-,15-,18-/m1/s1
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| InChIKey |
YFWHVNXTRQFUSK-IIDMSEBBSA-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