General Information of the Compound
| Compound ID |
CP0579589
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| Compound Name |
(2S)-2-cyclobutyl-N'-[2-methyl-5-(2-methylpropanoylamino)pyrazol-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 |
C28H37N7O4
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| Molecular Weight |
535.649
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| Canonical SMILES |
CC(C)C(=O)Nc1cc(NC(=O)C[C@@H](C2CCC2)C(=O)N[C@H]2c3ccccc3CN3CCCN3C2=O)n(C)n1
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| InChI |
InChI=1S/C28H37N7O4/c1-17(2)26(37)29-22-15-23(33(3)32-22)30-24(36)14-21(18-9-6-10-18)27(38)31-25-20-11-5-4-8-19(20)16-34-12-7-13-35(34)28(25)39/h4-5,8,11,15,17-18,21,25H,6-7,9-10,12-14,16H2,1-3H3,(H,30,36)(H,31,38)(H,29,32,37)/t21-,25-/m0/s1
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| InChIKey |
WYKMFPSOYVZXGA-OFVILXPXSA-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