General Information of the Compound
| Compound ID |
CP0530790
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| Compound Name |
(3S,3'S,7R,8R,8aS)-2-acetyl-8-(7-methoxy-1,3-benzodioxol-5-yl)-3-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3'-phenylspiro[3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazine-7,2'-oxirane]-6-one
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| Structure |
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| Formula |
C33H32N2O9
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| Molecular Weight |
600.624
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| Canonical SMILES |
COc1cc(C[C@H]2CN3[C@H](CN2C(C)=O)[C@@H](c2cc4OCOc4c(OC)c2)[C@]2(O[C@H]2c2ccccc2)C3=O)cc2OCOc12
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| InChI |
InChI=1S/C33H32N2O9/c1-18(36)34-15-23-28(21-12-25(39-3)30-27(13-21)41-17-43-30)33(31(44-33)20-7-5-4-6-8-20)32(37)35(23)14-22(34)9-19-10-24(38-2)29-26(11-19)40-16-42-29/h4-8,10-13,22-23,28,31H,9,14-17H2,1-3H3/t22-,23+,28+,31-,33+/m0/s1
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| InChIKey |
IKMTWSYMQMGXCQ-HGSJAIJISA-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