General Information of the Compound
| Compound ID |
CP0396933
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| Compound Name |
(3S,3'S,7R,8R,8aS)-2-acetyl-3-benzyl-8-(7-methoxy-1,3-benzodioxol-5-yl)-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 |
C31H30N2O6
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| Molecular Weight |
526.589
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| Canonical SMILES |
COc1cc(cc2OCOc12)[C@@H]1[C@H]2CN([C@@H](Cc3ccccc3)CN2C(=O)[C@@]11O[C@H]1c1ccccc1)C(C)=O
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| InChI |
InChI=1S/C31H30N2O6/c1-19(34)32-17-24-27(22-14-25(36-2)28-26(15-22)37-18-38-28)31(29(39-31)21-11-7-4-8-12-21)30(35)33(24)16-23(32)13-20-9-5-3-6-10-20/h3-12,14-15,23-24,27,29H,13,16-18H2,1-2H3/t23-,24+,27+,29-,31+/m0/s1
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| InChIKey |
CNJPOHZCIZRLEN-JTTXJNPXSA-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