General Information of the Compound
| Compound ID |
CP0470531
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| Compound Name |
CHEMBL4063313
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| Formula |
C26H28ClF3N4O
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| Molecular Weight |
504.984
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| Canonical SMILES |
O[C@@]1(CC[C@@H](CC1)Nc1ccc(cc1Cl)-c1ccn2c(CC3CC3)nnc2c1C(F)(F)F)C1CC1
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| InChI |
InChI=1S/C26H28ClF3N4O/c27-20-14-16(3-6-21(20)31-18-7-10-25(35,11-8-18)17-4-5-17)19-9-12-34-22(13-15-1-2-15)32-33-24(34)23(19)26(28,29)30/h3,6,9,12,14-15,17-18,31,35H,1-2,4-5,7-8,10-11,13H2/t18-,25+
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| InChIKey |
WJLUROCTNUSXPD-HMRCJKRNSA-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