General Information of the Compound
| Compound ID |
CP0100105
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| Compound Name |
(3S,4R)-3,4-dimethyl-1-oxo-N-pyridin-3-yl-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-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 |
C[C@@H]1NC(=O)c2cc3ccc(cc3n2[C@@H]1C)C(=O)Nc1cccnc1
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| InChI |
InChI=1S/C19H18N4O2/c1-11-12(2)23-16-9-14(18(24)22-15-4-3-7-20-10-15)6-5-13(16)8-17(23)19(25)21-11/h3-12H,1-2H3,(H,21,25)(H,22,24)/t11-,12+/m0/s1
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| InChIKey |
TUGLLILZLOHMCZ-NWDGAFQWSA-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