General Information of the Compound
| Compound ID |
CP0458261
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| Compound Name |
(E)-N-[(4R,4aS,7R,7aR,12bS)-3-cyclopropylsulfonyl-4a-hydroxy-9-methoxy-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 |
C28H32N2O7S
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| Molecular Weight |
540.638
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| Canonical SMILES |
COc1ccc2C[C@H]3N(CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)N(C)C(=O)\C=C\c1ccoc1)S(=O)(=O)C1CC1
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| InChI |
InChI=1S/C28H32N2O7S/c1-29(23(31)8-3-17-10-14-36-16-17)20-9-11-28(32)22-15-18-4-7-21(35-2)25-24(18)27(28,26(20)37-25)12-13-30(22)38(33,34)19-5-6-19/h3-4,7-8,10,14,16,19-20,22,26,32H,5-6,9,11-13,15H2,1-2H3/b8-3+/t20-,22-,26+,27+,28-/m1/s1
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| InChIKey |
BIHASDXMXBNXJC-QCYCTRBGSA-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