General Information of the Compound
| Compound ID |
CP0421313
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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-(1H-pyrazol-5-yl)pentan-1-one
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| Structure |
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| Formula |
C24H28N6O
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| Molecular Weight |
416.529
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| Canonical SMILES |
O=C(CCCCc1cc[nH]n1)N1CCc2nc(NC3Cc4ccccc4C3)ncc2C1
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| InChI |
InChI=1S/C24H28N6O/c31-23(8-4-3-7-20-9-11-26-29-20)30-12-10-22-19(16-30)15-25-24(28-22)27-21-13-17-5-1-2-6-18(17)14-21/h1-2,5-6,9,11,15,21H,3-4,7-8,10,12-14,16H2,(H,26,29)(H,25,27,28)
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| InChIKey |
HUXSAXGKOVOEMJ-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