General Information of the Compound
| Compound ID |
CP0307130
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| Compound Name |
3-{[(3-Benzyl-2-aza-bicyclo[2.2.1]heptane-2-carbonyl)-amino]-methyl}-indole-1-carboxylic acid benzyl ester
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| Structure |
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| Formula |
C31H31N3O3
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| Molecular Weight |
493.607
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| Canonical SMILES |
O=C(NCc1cn(C(=O)OCc2ccccc2)c2ccccc12)N1C2CCC(C2)C1Cc1ccccc1
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| InChI |
InChI=1S/C31H31N3O3/c35-30(34-26-16-15-24(18-26)29(34)17-22-9-3-1-4-10-22)32-19-25-20-33(28-14-8-7-13-27(25)28)31(36)37-21-23-11-5-2-6-12-23/h1-14,20,24,26,29H,15-19,21H2,(H,32,35)
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| InChIKey |
HBORZUGNIHEQPK-UHFFFAOYSA-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