General Information of the Compound
| Compound ID |
CP0571860
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| Compound Name |
US10028961, Compound 206
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| Structure |
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| Formula |
C23H25F3N6
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| Molecular Weight |
442.489
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| Canonical SMILES |
CC(Cc1ccccc1)Nc1nc(N[C@H](C)C2CC2)nc(n1)-c1cccc(n1)C(F)(F)F
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| InChI |
InChI=1S/C23H25F3N6/c1-14(13-16-7-4-3-5-8-16)27-21-30-20(18-9-6-10-19(29-18)23(24,25)26)31-22(32-21)28-15(2)17-11-12-17/h3-10,14-15,17H,11-13H2,1-2H3,(H2,27,28,30,31,32)/t14?,15-/m1/s1
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| InChIKey |
VUQFMBNQHKOABY-YSSOQSIOSA-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