General Information of the Compound
| Compound ID |
CP0430117
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| Compound Name |
2-Fluoro-N-{4-[(7-methoxy-3a,4,5,9b-tetrahydro-1H-benzo[e]indol-2-ylamino)-methyl]-cyclohexylmethyl}-benzenesulfonamide
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| Formula |
C27H34FN3O3S
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| Molecular Weight |
499.652
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| Canonical SMILES |
COc1ccc2C3CC(NC[C@H]4CC[C@H](CNS(=O)(=O)c5ccccc5F)CC4)=NC3CCc2c1
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| InChI |
InChI=1S/C27H34FN3O3S/c1-34-21-11-12-22-20(14-21)10-13-25-23(22)15-27(31-25)29-16-18-6-8-19(9-7-18)17-30-35(32,33)26-5-3-2-4-24(26)28/h2-5,11-12,14,18-19,23,25,30H,6-10,13,15-17H2,1H3,(H,29,31)/t18-,19-,23?,25?
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| InChIKey |
UTIVRFVHAVYEJU-SFXYXSDJSA-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