General Information of the Compound
| Compound ID |
CP0137005
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| Compound Name |
US10501467, Example 31
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| Synonyms |
Dihydrodiazepinocarbazolone derivative 1
PMID27841036-Compound-26
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| Structure |
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| Formula |
C22H28N4O
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| Molecular Weight |
364.493
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| Canonical SMILES |
CC1(C)Cc2n(CCN3CCCCC3)c3cccc4c3c2c(C1)n[nH]c4=O
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| InChI |
InChI=1S/C22H28N4O/c1-22(2)13-16-20-18(14-22)26(12-11-25-9-4-3-5-10-25)17-8-6-7-15(19(17)20)21(27)24-23-16/h6-8H,3-5,9-14H2,1-2H3,(H,24,27)
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| InChIKey |
LNWPRZVIPZXIHL-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
Clinical Information about the Compound