General Information of the Compound
| Compound ID |
CP0340761
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| Compound Name |
1-oxo-N-quinolin-3-yl-2,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indole-8-carboxamide
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| Structure |
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| Formula |
C22H18N4O2
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| Molecular Weight |
370.412
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| Canonical SMILES |
O=C(Nc1cnc2ccccc2c1)c1ccc2cc3C(=O)NCCCn3c2c1
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| InChI |
InChI=1S/C22H18N4O2/c27-21(25-17-10-14-4-1-2-5-18(14)24-13-17)16-7-6-15-11-20-22(28)23-8-3-9-26(20)19(15)12-16/h1-2,4-7,10-13H,3,8-9H2,(H,23,28)(H,25,27)
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| InChIKey |
MVRDTJDXYOJXNF-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