General Information of the Compound
| Compound ID |
CP0472912
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| Compound Name |
methyl (1S,2R,4aR,5S,6S,8aS)-2-carbamoyloxy-5-[(E)-2-[5-(3-fluorophenyl)pyridin-2-yl]ethenyl]-1,4a-dimethylspiro[3,4,5,7,8,8a-hexahydro-2H-naphthalene-6,2'-oxirane]-1-carboxylate
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| Structure |
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| Formula |
C29H33FN2O5
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| Molecular Weight |
508.59
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| Canonical SMILES |
COC(=O)[C@]1(C)[C@@H](CC[C@]2(C)[C@@H]1CC[C@@]1(CO1)[C@H]2\C=C\c1ccc(cn1)-c1cccc(F)c1)OC(N)=O
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| InChI |
InChI=1S/C29H33FN2O5/c1-27-13-12-24(37-26(31)34)28(2,25(33)35-3)22(27)11-14-29(17-36-29)23(27)10-9-21-8-7-19(16-32-21)18-5-4-6-20(30)15-18/h4-10,15-16,22-24H,11-14,17H2,1-3H3,(H2,31,34)/b10-9+/t22-,23-,24+,27+,28-,29+/m0/s1
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| InChIKey |
ASVAPPKVQLBQAY-UIHPFBAFSA-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