General Information of the Compound
| Compound ID |
CP0469799
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| Compound Name |
US9206199, 194
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| Structure |
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| Formula |
C23H24FN9O
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| Molecular Weight |
461.505
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| Canonical SMILES |
Cc1c(ccc(F)c1[N+]#[C-])[C@@H]1CN2CCN(C[C@H]2CN1)C(=O)Cc1ccc(nc1)-n1cnnn1
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| InChI |
InChI=1S/C23H24FN9O/c1-15-18(4-5-19(24)23(15)25-2)20-13-31-7-8-32(12-17(31)11-26-20)22(34)9-16-3-6-21(27-10-16)33-14-28-29-30-33/h3-6,10,14,17,20,26H,7-9,11-13H2,1H3/t17-,20+/m1/s1
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| InChIKey |
TXOCRZAHVXEGCK-XLIONFOSSA-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