General Information of the Compound
| Compound ID |
CP0084719
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| Compound Name |
7-[[(2S)-2-aminopropyl]amino]-5-(1H-indol-7-ylamino)-3H-pyrido[4,3-d]pyrimidin-4-one
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| Structure |
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| Formula |
C18H19N7O
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| Molecular Weight |
349.398
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| Canonical SMILES |
C[C@H](N)CNc1cc2nc[nH]c(=O)c2c(Nc2cccc3cc[nH]c23)n1
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| InChI |
InChI=1S/C18H19N7O/c1-10(19)8-21-14-7-13-15(18(26)23-9-22-13)17(25-14)24-12-4-2-3-11-5-6-20-16(11)12/h2-7,9-10,20H,8,19H2,1H3,(H2,21,24,25)(H,22,23,26)/t10-/m0/s1
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| InChIKey |
GVRXIDPSFXZQGC-JTQLQIEISA-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