General Information of the Compound
| Compound ID |
CP0060335
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| Compound Name |
4-cyano-N-[3-(1H-pyrazol-5-ylmethyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]benzenesulfonamide
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| Structure |
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| Formula |
C21H21N5O2S
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| Molecular Weight |
407.499
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| Canonical SMILES |
O=S(=O)(Nc1ccc2CCN(Cc3ccn[nH]3)CCc2c1)c1ccc(cc1)C#N
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| InChI |
InChI=1S/C21H21N5O2S/c22-14-16-1-5-21(6-2-16)29(27,28)25-19-4-3-17-8-11-26(12-9-18(17)13-19)15-20-7-10-23-24-20/h1-7,10,13,25H,8-9,11-12,15H2,(H,23,24)
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| InChIKey |
DRIFJIZBEOCUBL-UHFFFAOYSA-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