General Information of the Compound
| Compound ID |
CP0405929
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| Compound Name |
4-(Benzo[1,3]dioxol-5-ylcarbamoyl)-2-{4-[(2,4-diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-butyric acid
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| Structure |
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| Formula |
C27H27N9O6
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| Molecular Weight |
573.57
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| Canonical SMILES |
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CCC(=O)Nc1ccc2OCOc2c1)C(O)=O
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| InChI |
InChI=1S/C27H27N9O6/c1-36(12-16-11-30-24-22(32-16)23(28)34-27(29)35-24)17-5-2-14(3-6-17)25(38)33-18(26(39)40)7-9-21(37)31-15-4-8-19-20(10-15)42-13-41-19/h2-6,8,10-11,18H,7,9,12-13H2,1H3,(H,31,37)(H,33,38)(H,39,40)(H4,28,29,30,34,35)
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| InChIKey |
JVUJJVIMTYWCBT-UHFFFAOYSA-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