General Information of the Compound
| Compound ID |
CP0681671
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| Compound Name |
1-(2,4-Dimethyl-phenyl)-4-(2-phenyl-cyclopropylmethyl)-piperazine hydrobromide
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| Structure |
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| Formula |
C22H29BrN2
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| Molecular Weight |
401.392
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| Canonical SMILES |
Br.Cc1ccc(N2CCN(C[C@@H]3C[C@H]3c3ccccc3)CC2)c(C)c1
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| InChI |
InChI=1S/C22H28N2.BrH/c1-17-8-9-22(18(2)14-17)24-12-10-23(11-13-24)16-20-15-21(20)19-6-4-3-5-7-19;/h3-9,14,20-21H,10-13,15-16H2,1-2H3;1H/t20-,21-;/m0./s1
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| InChIKey |
LIGKFDFMSKBNRX-GUTACTQSSA-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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