General Information of the Compound
| Compound ID |
CP0513504
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| Compound Name |
US10028961, Compound 5
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| Structure |
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| Formula |
C16H18F3N7O
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| Molecular Weight |
381.362
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| Canonical SMILES |
C[C@@H](Nc1nc(NCC(N)=O)nc(n1)-c1cccc(n1)C(F)(F)F)C1CC1
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| InChI |
InChI=1S/C16H18F3N7O/c1-8(9-5-6-9)22-15-25-13(24-14(26-15)21-7-12(20)27)10-3-2-4-11(23-10)16(17,18)19/h2-4,8-9H,5-7H2,1H3,(H2,20,27)(H2,21,22,24,25,26)/t8-/m1/s1
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| InChIKey |
YDQAYHKPLFMZEJ-MRVPVSSYSA-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