General Information of the Compound
| Compound ID |
CP0426391
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| Compound Name |
US10077266, Example 144
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| Formula |
C24H29F2N5O3
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| Molecular Weight |
473.524
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| Canonical SMILES |
CC(=O)N1CCc2nc(N3CCC(CC3)Oc3ccc(F)cc3F)c(N[C@@H]3C[C@H](O)C3)nc2C1
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| InChI |
InChI=1S/C24H29F2N5O3/c1-14(32)31-9-6-20-21(13-31)28-23(27-16-11-17(33)12-16)24(29-20)30-7-4-18(5-8-30)34-22-3-2-15(25)10-19(22)26/h2-3,10,16-18,33H,4-9,11-13H2,1H3,(H,27,28)/t16-,17+
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| InChIKey |
HRCVXNPXGOAGEG-CALCHBBNSA-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