General Information of the Compound
| Compound ID |
CP0517862
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| Compound Name |
(E)-N-[(4R,4aS,7R,7aR,12bS)-4a-hydroxy-9-methoxy-3-(4-methoxyphenyl)sulfonyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]-3-(furan-3-yl)-N-methylprop-2-enamide
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| Structure |
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| Formula |
C32H34N2O8S
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| Molecular Weight |
606.697
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| Canonical SMILES |
COc1ccc(cc1)S(=O)(=O)N1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CC[C@H]4N(C)C(=O)\C=C\c1ccoc1)ccc5OC
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| InChI |
InChI=1S/C32H34N2O8S/c1-33(27(35)11-4-20-13-17-41-19-20)24-12-14-32(36)26-18-21-5-10-25(40-3)29-28(21)31(32,30(24)42-29)15-16-34(26)43(37,38)23-8-6-22(39-2)7-9-23/h4-11,13,17,19,24,26,30,36H,12,14-16,18H2,1-3H3/b11-4+/t24-,26-,30+,31+,32-/m1/s1
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| InChIKey |
UUMHJCYJNHQEPW-PMGNNYPESA-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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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound