General Information of the Compound
| Compound ID |
CP0350454
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| Compound Name |
(4aR,5S,6R,8S,8aR)-5-[2-(furan-3-yl)ethyl]-8-hydroxy-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid;azane
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| Structure |
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| Formula |
C20H31NO4
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| Molecular Weight |
349.471
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| Canonical SMILES |
N.C[C@@H]1C[C@H](O)[C@]2(C)[C@H](CCC=C2C(O)=O)[C@@]1(C)CCc1ccoc1
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| InChI |
InChI=1S/C20H28O4.H3N/c1-13-11-17(21)20(3)15(18(22)23)5-4-6-16(20)19(13,2)9-7-14-8-10-24-12-14;/h5,8,10,12-13,16-17,21H,4,6-7,9,11H2,1-3H3,(H,22,23);1H3/t13-,16-,17+,19+,20+;/m1./s1
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| InChIKey |
QENGBUDRUMRCDR-CGTWFDGSSA-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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