General Information of the Compound
| Compound ID |
CP0478620
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| Compound Name |
US9193726, 21
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| Structure |
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| Formula |
C25H25F3N4O3
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| Molecular Weight |
486.494
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| Canonical SMILES |
Cc1cn(cn1)-c1ccc2C(=O)N(CC3CCCC3Oc3cccc(c3)C(F)(F)F)CCn2c1=O
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| InChI |
InChI=1S/C25H25F3N4O3/c1-16-13-31(15-29-16)20-8-9-21-23(33)30(10-11-32(21)24(20)34)14-17-4-2-7-22(17)35-19-6-3-5-18(12-19)25(26,27)28/h3,5-6,8-9,12-13,15,17,22H,2,4,7,10-11,14H2,1H3
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| InChIKey |
BZTHPZLWOPECKG-UHFFFAOYSA-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