General Information of the Compound
| Compound ID |
CP0864750
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| Compound Name |
(S)-6-(4-((3-methyl-4-(5-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)methyl)-1H-pyrazol-3-yl)-2H-benzo[e][1,3]oxazine-2,4(3H)-dione
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| Structure |
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| Formula |
C23H21F3N6O3
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| Molecular Weight |
486.454
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| Canonical SMILES |
C[C@H]1CN(Cc2c[nH]nc2-c2ccc3oc(=O)[nH]c(=O)c3c2)CCN1c1ccc(C(F)(F)F)cn1
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| InChI |
InChI=1S/C23H21F3N6O3/c1-13-11-31(6-7-32(13)19-5-3-16(10-27-19)23(24,25)26)12-15-9-28-30-20(15)14-2-4-18-17(8-14)21(33)29-22(34)35-18/h2-5,8-10,13H,6-7,11-12H2,1H3,(H,28,30)(H,29,33,34)/t13-/m0/s1
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| InChIKey |
KTSDTVXRXOYNGI-ZDUSSCGKSA-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