General Information of the Compound
| Compound ID |
CP0205773
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| Compound Name |
1-(dicyclopropylmethylamino)-7-pyridazin-3-yl-5H-pyrido[4,3-b]indole-4-carboxamide
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| Structure |
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| Formula |
C23H22N6O
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| Molecular Weight |
398.47
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| Canonical SMILES |
NC(=O)c1cnc(NC(C2CC2)C2CC2)c2c3ccc(cc3[nH]c12)-c1cccnn1
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| InChI |
InChI=1S/C23H22N6O/c24-22(30)16-11-25-23(28-20(12-3-4-12)13-5-6-13)19-15-8-7-14(10-18(15)27-21(16)19)17-2-1-9-26-29-17/h1-2,7-13,20,27H,3-6H2,(H2,24,30)(H,25,28)
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| InChIKey |
MJSGAQVMOHSLBX-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