General Information of the Compound
| Compound ID |
CP0486204
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| Compound Name |
4-(2-methyl-4-(6-(4-methylpiperazin-1-yl)pyrido[3,4-d]pyrimidin-4-ylamino)phenoxy)-N-neopentylbenzamide
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| Structure |
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| Formula |
C31H37N7O2
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| Molecular Weight |
539.684
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| Canonical SMILES |
CN1CCN(CC1)c1cc2c(Nc3ccc(Oc4ccc(cc4)C(=O)NCC(C)(C)C)c(C)c3)ncnc2cn1
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| InChI |
InChI=1S/C31H37N7O2/c1-21-16-23(8-11-27(21)40-24-9-6-22(7-10-24)30(39)33-19-31(2,3)4)36-29-25-17-28(32-18-26(25)34-20-35-29)38-14-12-37(5)13-15-38/h6-11,16-18,20H,12-15,19H2,1-5H3,(H,33,39)(H,34,35,36)
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| InChIKey |
ZNIHSZIOJYSEMQ-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