General Information of the Compound
| Compound ID |
CP0466691
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| Compound Name |
[(1S,3aR,6aR)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-2,3,6,6a-tetrahydro-1H-pentalen-1-yl] N-carbamoylsulfamate
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| Structure |
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| Formula |
C29H36N2O4S
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| Molecular Weight |
508.684
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| Canonical SMILES |
CCCCCCC1=C(c2ccccc2)[C@@]2(CC[C@H](OS(=O)(=O)NC(N)=O)[C@@H]2C1)C(=C)c1ccccc1
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| InChI |
InChI=1S/C29H36N2O4S/c1-3-4-5-8-17-24-20-25-26(35-36(33,34)31-28(30)32)18-19-29(25,21(2)22-13-9-6-10-14-22)27(24)23-15-11-7-12-16-23/h6-7,9-16,25-26H,2-5,8,17-20H2,1H3,(H3,30,31,32)/t25-,26-,29-/m0/s1
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| InChIKey |
WVEQNIAZNVVQQB-ZEZDXWPOSA-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