General Information of the Compound
| Compound ID |
CP0957644
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| Compound Name |
US8614213, 19.94
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| Formula |
C24H24ClF3N4O
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| Molecular Weight |
476.93
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| Canonical SMILES |
O=C(N[C@H]1CC[C@H](CNc2n[nH]cc2-c2ccccc2)CC1)c1cc(C(F)(F)F)ccc1Cl
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| InChI |
InChI=1S/C24H24ClF3N4O/c25-21-11-8-17(24(26,27)28)12-19(21)23(33)31-18-9-6-15(7-10-18)13-29-22-20(14-30-32-22)16-4-2-1-3-5-16/h1-5,8,11-12,14-15,18H,6-7,9-10,13H2,(H,31,33)(H2,29,30,32)/t15-,18-
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| InChIKey |
KWZXGEAMKADLBX-RZDIXWSQSA-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