General Information of the Compound
| Compound ID |
CP0339485
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| Compound Name |
(2S)-2-[[4-[(2,4-diamino-5-prop-2-enyl-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 |
C24H31N7O5
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| Molecular Weight |
497.556
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| Canonical SMILES |
CN(CC1CCc2nc(N)nc(N)c2N1CC=C)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
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| InChI |
InChI=1S/C24H31N7O5/c1-3-12-31-16(8-9-17-20(31)21(25)29-24(26)28-17)13-30(2)15-6-4-14(5-7-15)22(34)27-18(23(35)36)10-11-19(32)33/h3-7,16,18H,1,8-13H2,2H3,(H,27,34)(H,32,33)(H,35,36)(H4,25,26,28,29)/t16?,18-/m0/s1
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| InChIKey |
RGHLQIAIGIPKNE-DAFXYXGESA-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