General Information of the Compound
| Compound ID |
CP0563243
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| Compound Name |
US9206199, 6
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| Structure |
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| Formula |
C22H22FN9O2
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| Molecular Weight |
463.477
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| Canonical SMILES |
Cc1c(ccc(F)c1[N+]#[C-])[C@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1cnc(nc1)-n1cnnn1
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| InChI |
InChI=1S/C22H22FN9O2/c1-14-17(3-4-18(23)21(14)24-2)19-11-30-5-6-31(10-16(30)12-34-19)20(33)7-15-8-25-22(26-9-15)32-13-27-28-29-32/h3-4,8-9,13,16,19H,5-7,10-12H2,1H3/t16-,19+/m0/s1
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| InChIKey |
UHYDCSMYCROSHH-QFBILLFUSA-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