General Information of the Compound
| Compound ID |
CP0945009
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| Compound Name |
6-Fluoro-2-((S)-pyrrolidine-2-carbonyl)-2,3,4,9-tetrahydro-1H-2,4,9,10-tetraaza-cyclohepta[def]fluoren-8-one
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| Formula |
C17H16FN5O2
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| Molecular Weight |
341.346
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| Canonical SMILES |
O=C1NN=C2CN(C(=O)[C@@H]3CCCN3)Cc3[nH]c4cc(F)cc1c4c32
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| InChI |
InChI=1S/C17H16FN5O2/c18-8-4-9-14-11(5-8)20-12-6-23(17(25)10-2-1-3-19-10)7-13(15(12)14)21-22-16(9)24/h4-5,10,19-20H,1-3,6-7H2,(H,22,24)/t10-/m0/s1
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| InChIKey |
VGJWFKZVPZAJAX-JTQLQIEISA-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