General Information of the Compound
| Compound ID |
CP0895143
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| Compound Name |
N-{4-[(3a,4,5,9b-Tetrahydro-1H-benzo[e]indol-2-ylamino)-methyl]-cyclohexylmethyl}-benzenesulfonamide
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| Formula |
C26H34ClN3O2S
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| Molecular Weight |
488.097
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| Canonical SMILES |
Cl.O=S(=O)(NC[C@H]1CC[C@H](CNC2=NC3CCc4ccccc4C3C2)CC1)c1ccccc1
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| InChI |
InChI=1S/C26H33N3O2S.ClH/c30-32(31,22-7-2-1-3-8-22)28-18-20-12-10-19(11-13-20)17-27-26-16-24-23-9-5-4-6-21(23)14-15-25(24)29-26;/h1-9,19-20,24-25,28H,10-18H2,(H,27,29);1H/t19-,20-,24?,25?;
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| InChIKey |
SQZSLWXALGVXKB-BCRCRYCOSA-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