General Information of the Compound
| Compound ID |
CP0478246
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| Compound Name |
(2R)-2-methyl-N'-(2-methylpyridin-3-yl)-N-[(6S)-5-oxo-2,3,6,11-tetrahydro-1H-pyrazolo[1,2-b][2,3]benzodiazepin-6-yl]butanediamide
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| Structure |
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| Formula |
C23H27N5O3
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| Molecular Weight |
421.501
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| Canonical SMILES |
C[C@H](CC(=O)Nc1cccnc1C)C(=O)N[C@H]1c2ccccc2CN2CCCN2C1=O
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| InChI |
InChI=1S/C23H27N5O3/c1-15(13-20(29)25-19-9-5-10-24-16(19)2)22(30)26-21-18-8-4-3-7-17(18)14-27-11-6-12-28(27)23(21)31/h3-5,7-10,15,21H,6,11-14H2,1-2H3,(H,25,29)(H,26,30)/t15-,21+/m1/s1
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| InChIKey |
QFBHVCPNQLQPEI-VFNWGFHPSA-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