General Information of the Compound
| Compound ID |
CP0525893
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| Compound Name |
(2S)-2-[[4-[(2,4-diamino-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
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| Structure |
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| Formula |
C20H25N7O5
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| Molecular Weight |
443.464
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| Canonical SMILES |
Nc1nc(N)c2NC(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CCc2n1
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| InChI |
InChI=1S/C20H25N7O5/c21-17-16-13(26-20(22)27-17)6-5-12(24-16)9-23-11-3-1-10(2-4-11)18(30)25-14(19(31)32)7-8-15(28)29/h1-4,12,14,23-24H,5-9H2,(H,25,30)(H,28,29)(H,31,32)(H4,21,22,26,27)/t12?,14-/m0/s1
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| InChIKey |
NJZPEYYRVZHUEO-PYMCNQPYSA-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