General Information of the Compound
| Compound ID |
CP0548977
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| Compound Name |
5-(4-chlorophenyl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
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| Structure |
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| Formula |
C14H18ClN5
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| Molecular Weight |
291.786
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| Canonical SMILES |
NC1=NC2(CCCCC2)N(C(N)=N1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C14H18ClN5/c15-10-4-6-11(7-5-10)20-13(17)18-12(16)19-14(20)8-2-1-3-9-14/h4-7H,1-3,8-9H2,(H4,16,17,18,19)
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| InChIKey |
HVLCNNIHIPOVOP-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