General Information of the Compound
| Compound ID |
CP0482110
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| Compound Name |
5-benzyl-1-methyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyrazole-3-carboxamide
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| Structure |
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| Formula |
C22H22N4O3
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| Molecular Weight |
390.443
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| Canonical SMILES |
CN1c2ccccc2OC[C@H](NC(=O)c2cc(Cc3ccccc3)n(C)n2)C1=O
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| InChI |
InChI=1S/C22H22N4O3/c1-25-19-10-6-7-11-20(19)29-14-18(22(25)28)23-21(27)17-13-16(26(2)24-17)12-15-8-4-3-5-9-15/h3-11,13,18H,12,14H2,1-2H3,(H,23,27)/t18-/m0/s1
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| InChIKey |
YHGUHKWOKRNNEY-SFHVURJKSA-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