General Information of the Compound
| Compound ID |
CP0413305
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| Compound Name |
US9193726, 26
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| Formula |
C24H22F4N4O3
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| Molecular Weight |
490.457
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| Canonical SMILES |
Cc1cn(cn1)-c1ccc2C(=O)N(CCn2c1=O)[C@H]1C[C@H](COc2ccc(F)cc2C(F)(F)F)C1
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| InChI |
InChI=1S/C24H22F4N4O3/c1-14-11-30(13-29-14)19-3-4-20-23(34)31(6-7-32(20)22(19)33)17-8-15(9-17)12-35-21-5-2-16(25)10-18(21)24(26,27)28/h2-5,10-11,13,15,17H,6-9,12H2,1H3/t15-,17-
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| InChIKey |
RVPNZPUGQPTCES-JCNLHEQBSA-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