General Information of the Compound
| Compound ID |
CP0192614
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| Compound Name |
((S)-4-bromo-3,6-dimethoxybenzocyclobuten-1-yl)methylamine
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| Structure |
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| Formula |
C11H14BrNO2
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| Molecular Weight |
272.142
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| Canonical SMILES |
COc1cc(Br)c(OC)c2C[C@H](CN)c12
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| InChI |
InChI=1S/C11H14BrNO2/c1-14-9-4-8(12)11(15-2)7-3-6(5-13)10(7)9/h4,6H,3,5,13H2,1-2H3/t6-/m1/s1
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| InChIKey |
MPBCKKVERDTCEL-ZCFIWIBFSA-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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