General Information of the Compound
| Compound ID |
CP0575446
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| Compound Name |
US10028961, Compound 281
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| Structure |
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| Formula |
C17H21F3N6O
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| Molecular Weight |
382.39
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| Canonical SMILES |
C[C@H](CO)Nc1nc(N[C@H](C)C2CC2)nc(n1)-c1cccc(n1)C(F)(F)F
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| InChI |
InChI=1S/C17H21F3N6O/c1-9(8-27)21-15-24-14(12-4-3-5-13(23-12)17(18,19)20)25-16(26-15)22-10(2)11-6-7-11/h3-5,9-11,27H,6-8H2,1-2H3,(H2,21,22,24,25,26)/t9-,10-/m1/s1
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| InChIKey |
RFBMTEMJWRNYFW-NXEZZACHSA-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