General Information of the Compound
| Compound ID |
CP0194830
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| Compound Name |
(2S)-2-[[4-[(2,4-diamino-5-formyl-7,8-dihydro-6H-pyrido[3,2-d]pyrimidin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid
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| Structure |
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| Formula |
C22H27N7O6
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| Molecular Weight |
485.501
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| Canonical SMILES |
CN(CC1CCc2nc(N)nc(N)c2N1C=O)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
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| InChI |
InChI=1S/C22H27N7O6/c1-28(10-14-6-7-15-18(29(14)11-30)19(23)27-22(24)26-15)13-4-2-12(3-5-13)20(33)25-16(21(34)35)8-9-17(31)32/h2-5,11,14,16H,6-10H2,1H3,(H,25,33)(H,31,32)(H,34,35)(H4,23,24,26,27)/t14?,16-/m0/s1
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| InChIKey |
HENVGZUATRRKJR-WMCAAGNKSA-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