General Information of the Compound
| Compound ID |
CP0536368
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| Compound Name |
(NZ)-N-[1-(4-fluorophenyl)-4-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)butylidene]hydroxylamine
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| Structure |
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| Formula |
C19H24FN5O
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| Molecular Weight |
357.433
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| Canonical SMILES |
O\N=C(\CCCN1CCCN(CC1)c1ncccn1)c1ccc(F)cc1
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| InChI |
InChI=1S/C19H24FN5O/c20-17-7-5-16(6-8-17)18(23-26)4-1-11-24-12-3-13-25(15-14-24)19-21-9-2-10-22-19/h2,5-10,26H,1,3-4,11-15H2/b23-18-
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| InChIKey |
NBTOXXDFQOHTRO-NKFKGCMQSA-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