General Information of the Compound
| Compound ID |
CP0940703
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| Compound Name |
N-{4-[(6-Methoxy-1-pyridin-3-ylmethyl-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-methyl]-cyclohexylmethyl}-benzenesulfonamide
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| Formula |
C31H39N3O3S
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| Molecular Weight |
533.738
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| Canonical SMILES |
COc1ccc2c(c1)CCC(NC[C@H]1CC[C@H](CNS(=O)(=O)c3ccccc3)CC1)C2Cc1cccnc1
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| InChI |
InChI=1S/C31H39N3O3S/c1-37-27-14-15-29-26(19-27)13-16-31(30(29)18-25-6-5-17-32-20-25)33-21-23-9-11-24(12-10-23)22-34-38(35,36)28-7-3-2-4-8-28/h2-8,14-15,17,19-20,23-24,30-31,33-34H,9-13,16,18,21-22H2,1H3/t23-,24-,30?,31?
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| InChIKey |
OMXFBWUCMLOHPQ-HPELYDOMSA-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