General Information of the Compound
| Compound ID |
CP0389083
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| Compound Name |
N-[3-[2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-6,7-dioxo-5-propylpteridin-8-yl]phenyl]prop-2-enamide
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| Structure |
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| Formula |
C30H34N8O4
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| Molecular Weight |
570.654
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| Canonical SMILES |
CCCn1c2cnc(Nc3ccc(cc3OC)N3CCN(C)CC3)nc2n(-c2cccc(NC(=O)C=C)c2)c(=O)c1=O
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| InChI |
InChI=1S/C30H34N8O4/c1-5-12-37-24-19-31-30(33-23-11-10-21(18-25(23)42-4)36-15-13-35(3)14-16-36)34-27(24)38(29(41)28(37)40)22-9-7-8-20(17-22)32-26(39)6-2/h6-11,17-19H,2,5,12-16H2,1,3-4H3,(H,32,39)(H,31,33,34)
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| InChIKey |
VNTCTQSZRPNAAH-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