General Information of the Compound
| Compound ID |
CP0470161
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| Compound Name |
US9000182, 11, isomer 1
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| Formula |
C21H26F3N3O2
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| Molecular Weight |
409.452
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| Canonical SMILES |
CO[C@H]1CC[C@@]2(Cc3ccc(OCCC(F)(F)F)cc3[C@@]22N=C(C)C(N)=N2)CC1
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| InChI |
InChI=1S/C21H26F3N3O2/c1-13-18(25)27-21(26-13)17-11-16(29-10-9-20(22,23)24)4-3-14(17)12-19(21)7-5-15(28-2)6-8-19/h3-4,11,15H,5-10,12H2,1-2H3,(H2,25,27)/t15-,19-,21-/m0/s1
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| InChIKey |
JJEORDNWHQBLEW-ZRCAFCQKSA-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