General Information of the Compound
| Compound ID |
CP0084717
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| Compound Name |
7-[[(3R,4R)-3-aminooxan-4-yl]amino]-5-(1H-indol-7-ylamino)-3H-pyrido[4,3-d]pyrimidin-4-one
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| Structure |
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| Formula |
C20H21N7O2
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| Molecular Weight |
391.435
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| Canonical SMILES |
N[C@H]1COCC[C@H]1Nc1cc2nc[nH]c(=O)c2c(Nc2cccc3cc[nH]c23)n1
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| InChI |
InChI=1S/C20H21N7O2/c21-12-9-29-7-5-13(12)25-16-8-15-17(20(28)24-10-23-15)19(27-16)26-14-3-1-2-11-4-6-22-18(11)14/h1-4,6,8,10,12-13,22H,5,7,9,21H2,(H,23,24,28)(H2,25,26,27)/t12-,13+/m0/s1
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| InChIKey |
LZAOAQYGUGHFQO-QWHCGFSZSA-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