General Information of the Compound
| Compound ID |
CP0896897
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| Compound Name |
(S)-3-ethoxy-6-(4-(oxazol-5-yl)benzoyl)-2-(1-(4-(trifluoromethyl)phenyl)ethylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
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| Structure |
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| Formula |
C28H26F3N5O4
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| Molecular Weight |
553.541
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| Canonical SMILES |
CCOn1c(N[C@@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1ccc(-c3cnco3)cc1)CC2
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| InChI |
InChI=1S/C28H26F3N5O4/c1-3-40-36-26(38)22-15-35(25(37)20-6-4-19(5-7-20)24-14-32-16-39-24)13-12-23(22)34-27(36)33-17(2)18-8-10-21(11-9-18)28(29,30)31/h4-11,14,16-17H,3,12-13,15H2,1-2H3,(H,33,34)/t17-/m0/s1
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| InChIKey |
ADBZYMOKGJVIQN-KRWDZBQOSA-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