General Information of the Compound
| Compound ID |
CP0845190
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| Compound Name |
Naphthalene-2-sulfonic acid {4-[(1-benzyl-6-methoxy-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-methyl]-cyclohexylmethyl}-amide
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| Formula |
C36H42N2O3S
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| Molecular Weight |
582.81
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| Canonical SMILES |
COc1ccc2c(c1)CCC(NC[C@H]1CC[C@H](CNS(=O)(=O)c3ccc4ccccc4c3)CC1)C2Cc1ccccc1
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| InChI |
InChI=1S/C36H42N2O3S/c1-41-32-17-19-34-31(22-32)16-20-36(35(34)21-26-7-3-2-4-8-26)37-24-27-11-13-28(14-12-27)25-38-42(39,40)33-18-15-29-9-5-6-10-30(29)23-33/h2-10,15,17-19,22-23,27-28,35-38H,11-14,16,20-21,24-25H2,1H3/t27-,28-,35?,36?
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| InChIKey |
WUTQPANFUKXCKM-RTKVRCJASA-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