General Information of the Compound
| Compound ID |
CP0441404
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| Compound Name |
4-nitrobenzyl allyl(1-(((3a'S,4'S,5'S)-5'-phenyltetrahydro-3'H-spiro[cyclohexane-1,2'-pyrrolo[1,2-b]isoxazole]-4'-yl)methyl)piperidin-4-yl)carbamate
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| Structure |
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| Formula |
C34H44N4O5
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| Molecular Weight |
588.749
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| Canonical SMILES |
[O-][N+](=O)c1ccc(COC(=O)N(CC=C)C2CCN(C[C@H]3[C@@H]4CC5(CCCCC5)ON4C[C@@H]3c3ccccc3)CC2)cc1
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| InChI |
InChI=1S/C34H44N4O5/c1-2-19-36(33(39)42-25-26-11-13-29(14-12-26)38(40)41)28-15-20-35(21-16-28)23-31-30(27-9-5-3-6-10-27)24-37-32(31)22-34(43-37)17-7-4-8-18-34/h2-3,5-6,9-14,28,30-32H,1,4,7-8,15-25H2/t30-,31-,32+/m1/s1
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| InChIKey |
BPMDYCAPYKCBNC-IWWXRALLSA-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