General Information of the Compound
| Compound ID |
CP0400098
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| Compound Name |
5-cyclohexyl-1-[4-[2-(1H-imidazol-2-yl)ethylamino]phenyl]-3,8-dimethyl-1,3,4-benzotriazepin-2-one
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| Structure |
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| Formula |
C27H32N6O
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| Molecular Weight |
456.594
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| Canonical SMILES |
CN1N=C(C2CCCCC2)c2ccc(C)cc2N(c2ccc(NCCc3ncc[nH]3)cc2)C1=O
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| InChI |
InChI=1S/C27H32N6O/c1-19-8-13-23-24(18-19)33(27(34)32(2)31-26(23)20-6-4-3-5-7-20)22-11-9-21(10-12-22)28-15-14-25-29-16-17-30-25/h8-13,16-18,20,28H,3-7,14-15H2,1-2H3,(H,29,30)
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| InChIKey |
GKDKCXZPVZTKFP-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
Protein ID: PT02986, Parathyroid hormone/parathyroid hormone-related peptide receptor
Cell-based Assay
Protein ID: PT07326, Parathyroid hormone/parathyroid hormone-related peptide receptor