General Information of the Compound
| Compound ID |
CP0398905
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| Compound Name |
4-N-phenyl-1,3,5-triazaspiro[5.5]undeca-1,4-diene-2,4-diamine
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| Structure |
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| Formula |
C14H19N5
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| Molecular Weight |
257.341
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| Canonical SMILES |
NC1=NC2(CCCCC2)NC(Nc2ccccc2)=N1
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| InChI |
InChI=1S/C14H19N5/c15-12-17-13(16-11-7-3-1-4-8-11)19-14(18-12)9-5-2-6-10-14/h1,3-4,7-8H,2,5-6,9-10H2,(H4,15,16,17,18,19)
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| InChIKey |
STHMLNPMOYGEJM-UHFFFAOYSA-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