General Information of the Compound
| Compound ID |
CP0064316
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| Compound Name |
(12S,17S)-6-(piperazin-1-yl)-11-oxa-3,5-diazatetracyclo[8.7.0.0^{2,7}.0^{12,17}]heptadeca-1(10),2(7),3,5-tetraen-4-amine
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| Structure |
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| Formula |
C18H25N5O
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| Molecular Weight |
327.432
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| Canonical SMILES |
Nc1nc(N2CCNCC2)c2CCC3=C([C@@H]4CCCC[C@@H]4O3)c2n1
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| InChI |
InChI=1S/C18H25N5O/c19-18-21-16-12(17(22-18)23-9-7-20-8-10-23)5-6-14-15(16)11-3-1-2-4-13(11)24-14/h11,13,20H,1-10H2,(H2,19,21,22)/t11-,13+/m1/s1
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| InChIKey |
DJKJVWJQAVGLHJ-YPMHNXCESA-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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