General Information of the Compound
| Compound ID |
CP0440077
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| Compound Name |
1-[2-(2,3-dihydro-1H-inden-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-5-(2H-tetrazol-5-yl)pentan-1-one
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| Structure |
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| Formula |
C22H26N8O
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| Molecular Weight |
418.505
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| Canonical SMILES |
O=C(CCCCc1nn[nH]n1)N1CCc2nc(NC3Cc4ccccc4C3)ncc2C1
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| InChI |
InChI=1S/C22H26N8O/c31-21(8-4-3-7-20-26-28-29-27-20)30-10-9-19-17(14-30)13-23-22(25-19)24-18-11-15-5-1-2-6-16(15)12-18/h1-2,5-6,13,18H,3-4,7-12,14H2,(H,23,24,25)(H,26,27,28,29)
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| InChIKey |
CGMBIPBCZVJNAB-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