General Information of the Compound
| Compound ID |
CP0301711
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| Compound Name |
16-bromo-3,5,12-triazatetracyclo[9.7.0.02,7.013,18]octadeca-1(11),2,4,6,13(18),14,16-heptaen-4-amine
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| Structure |
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| Formula |
C15H13BrN4
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| Molecular Weight |
329.201
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| Canonical SMILES |
Nc1ncc2CCCc3[nH]c4ccc(Br)cc4c3-c2n1
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| InChI |
InChI=1S/C15H13BrN4/c16-9-4-5-11-10(6-9)13-12(19-11)3-1-2-8-7-18-15(17)20-14(8)13/h4-7,19H,1-3H2,(H2,17,18,20)
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| InChIKey |
MEOWHQIIZUZBTO-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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