General Information of the Compound
| Compound ID |
CP0527029
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| Compound Name |
N-[2-[6-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-2-(4-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide
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| Structure |
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| Formula |
C27H23F6N5O3
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| Molecular Weight |
579.501
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| Canonical SMILES |
COc1ccc(cc1)-c1nc2ccc(NCc3cc(cc(c3)C(F)(F)F)C(F)(F)F)nc2n(CCNC(C)=O)c1=O
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| InChI |
InChI=1S/C27H23F6N5O3/c1-15(39)34-9-10-38-24-21(36-23(25(38)40)17-3-5-20(41-2)6-4-17)7-8-22(37-24)35-14-16-11-18(26(28,29)30)13-19(12-16)27(31,32)33/h3-8,11-13H,9-10,14H2,1-2H3,(H,34,39)(H,35,37)
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| InChIKey |
AADDTKRBTBKAOH-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