General Information of the Compound
| Compound ID |
CP0134320
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| Compound Name |
N-[3-[4-[[2-aminoethyl(methyl)amino]methyl]-1H-pyrrol-3-yl]phenyl]propanamide
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| Structure |
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| Formula |
C17H24N4O
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| Molecular Weight |
300.406
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| Canonical SMILES |
CCC(=O)Nc1cccc(c1)-c1c[nH]cc1CN(C)CCN
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| InChI |
InChI=1S/C17H24N4O/c1-3-17(22)20-15-6-4-5-13(9-15)16-11-19-10-14(16)12-21(2)8-7-18/h4-6,9-11,19H,3,7-8,12,18H2,1-2H3,(H,20,22)
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| InChIKey |
ZXTYIIDDTFQCGV-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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