General Information of the Compound
| Compound ID |
CP0423338
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| Compound Name |
US9012651, 254
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| Structure |
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| Formula |
C21H30FN5O
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| Molecular Weight |
387.503
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| Canonical SMILES |
CC(C)[C@H](CO)NCc1nc(ccc1F)-c1ccc(nc1)N1CCN(C)CC1
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| InChI |
InChI=1S/C21H30FN5O/c1-15(2)20(14-28)23-13-19-17(22)5-6-18(25-19)16-4-7-21(24-12-16)27-10-8-26(3)9-11-27/h4-7,12,15,20,23,28H,8-11,13-14H2,1-3H3/t20-/m0/s1
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| InChIKey |
NWVDJFNVRMUMCF-FQEVSTJZSA-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