General Information of the Compound
| Compound ID |
CP0969641
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| Compound Name |
US8614213, 19.66
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| Formula |
C22H21Cl2F3N4O
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| Molecular Weight |
485.337
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| Canonical SMILES |
O=C(N[C@H]1CC[C@H](CNc2n[nH]c3ccc(Cl)cc23)CC1)c1cc(C(F)(F)F)ccc1Cl
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| InChI |
InChI=1S/C22H21Cl2F3N4O/c23-14-4-8-19-17(10-14)20(31-30-19)28-11-12-1-5-15(6-2-12)29-21(32)16-9-13(22(25,26)27)3-7-18(16)24/h3-4,7-10,12,15H,1-2,5-6,11H2,(H,29,32)(H2,28,30,31)/t12-,15-
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| InChIKey |
REYMHBNIBCNYTQ-NNUKFRKNSA-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