General Information of the Compound
| Compound ID |
CP0535986
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| Compound Name |
1,2,3,4-Tetrahydro-naphthalene-2-carboxylic acid {4-[(8-nitro-naphthalene-2-sulfonylamino)-methyl]-cyclohexylmethyl}-amide
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| Formula |
C29H33N3O5S
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| Molecular Weight |
535.666
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| Canonical SMILES |
[O-][N+](=O)c1cccc2ccc(cc12)S(=O)(=O)NC[C@H]1CC[C@H](CNC(=O)C2CCc3ccccc3C2)CC1
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| InChI |
InChI=1S/C29H33N3O5S/c33-29(25-13-12-22-4-1-2-5-24(22)16-25)30-18-20-8-10-21(11-9-20)19-31-38(36,37)26-15-14-23-6-3-7-28(32(34)35)27(23)17-26/h1-7,14-15,17,20-21,25,31H,8-13,16,18-19H2,(H,30,33)/t20-,21-,25?
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| InChIKey |
OJLYLHSLPXZUCU-FPCUACJBSA-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