General Information of the Compound
| Compound ID |
CP0013710
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| Compound Name |
CHEMBL4859422
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| Formula |
C23H25F3N6O3
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| Molecular Weight |
490.486
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| Canonical SMILES |
CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)[C@@H]3C[C@@H](C3)OC)ncnc12)-c1ccc(nc1)C(F)(F)F
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| InChI |
InChI=1S/C23H25F3N6O3/c1-3-32-19(13-4-5-17(27-10-13)23(24,25)26)30-18-20(32)28-12-29-21(18)35-15-6-7-31(11-15)22(33)14-8-16(9-14)34-2/h4-5,10,12,14-16H,3,6-9,11H2,1-2H3/t14-,15-,16+/m0/s1
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| InChIKey |
GXAZJAYXDSNEPR-HRCADAONSA-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