General Information of the Compound
| Compound ID |
CP0180491
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| Compound Name |
1-[2-(3-aminophenyl)-5-tert-butylpyrazol-3-yl]-3-[4-[(6-aminoquinazolin-4-yl)amino]phenyl]urea
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| Structure |
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| Formula |
C28H29N9O
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| Molecular Weight |
507.602
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| Canonical SMILES |
CC(C)(C)c1cc(NC(=O)Nc2ccc(Nc3ncnc4ccc(N)cc34)cc2)n(n1)-c1cccc(N)c1
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| InChI |
InChI=1S/C28H29N9O/c1-28(2,3)24-15-25(37(36-24)21-6-4-5-17(29)13-21)35-27(38)34-20-10-8-19(9-11-20)33-26-22-14-18(30)7-12-23(22)31-16-32-26/h4-16H,29-30H2,1-3H3,(H,31,32,33)(H2,34,35,38)
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| InChIKey |
WQIKRJDLIIEKAG-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