General Information of the Compound
| Compound ID |
CP0861809
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| Compound Name |
(S)-3-methoxy-6-(4-(trifluoromethoxy)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 |
C25H22F6N4O4
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| Molecular Weight |
556.463
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| Canonical SMILES |
COn1c(N[C@@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1ccc(OC(F)(F)F)cc1)CC2
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| InChI |
InChI=1S/C25H22F6N4O4/c1-14(15-3-7-17(8-4-15)24(26,27)28)32-23-33-20-11-12-34(13-19(20)22(37)35(23)38-2)21(36)16-5-9-18(10-6-16)39-25(29,30)31/h3-10,14H,11-13H2,1-2H3,(H,32,33)/t14-/m0/s1
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| InChIKey |
OAKGSJNBUNMMMG-AWEZNQCLSA-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