General Information of the Compound
| Compound ID |
CP0392727
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| Compound Name |
1-oxo-N-(pyridin-3-ylmethyl)-2,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indole-8-carboxamide
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| Structure |
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| Formula |
C19H18N4O2
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| Molecular Weight |
334.379
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| Canonical SMILES |
O=C(NCc1cccnc1)c1ccc2cc3C(=O)NCCCn3c2c1
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| InChI |
InChI=1S/C19H18N4O2/c24-18(22-12-13-3-1-6-20-11-13)15-5-4-14-9-17-19(25)21-7-2-8-23(17)16(14)10-15/h1,3-6,9-11H,2,7-8,12H2,(H,21,25)(H,22,24)
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| InChIKey |
LGGWWYULJHBMPH-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