General Information of the Compound
| Compound ID |
CP0271653
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| Compound Name |
6-(1,4-diazepan-1-yl)-N2-(2,3-dihydro-1H-inden-2-yl)-N4-(pyridin-4-yl)-1,3,5-triazine-2,4-diamine
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| Structure |
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| Formula |
C22H26N8
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| Molecular Weight |
402.506
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| Canonical SMILES |
C1C(Cc2ccccc12)Nc1nc(Nc2ccncc2)nc(n1)N1CCCNCC1
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| InChI |
InChI=1S/C22H26N8/c1-2-5-17-15-19(14-16(17)4-1)26-21-27-20(25-18-6-9-24-10-7-18)28-22(29-21)30-12-3-8-23-11-13-30/h1-2,4-7,9-10,19,23H,3,8,11-15H2,(H2,24,25,26,27,28,29)
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| InChIKey |
ONNXCWJFSRPLRR-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