General Information of the Compound
| Compound ID |
CP0954142
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| Compound Name |
3-(3-butynyl)-6-(4-methylbenzoyl)-2-[(S)-1-(4-trifluoromethylphenyl)ethylamino]-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
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| Structure |
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| Formula |
C28H27F3N4O2
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| Molecular Weight |
508.544
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| Canonical SMILES |
C#CCCn1c(N[C@@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1ccc(C)cc1)CC2
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| InChI |
InChI=1S/C28H27F3N4O2/c1-4-5-15-35-26(37)23-17-34(25(36)21-8-6-18(2)7-9-21)16-14-24(23)33-27(35)32-19(3)20-10-12-22(13-11-20)28(29,30)31/h1,6-13,19H,5,14-17H2,2-3H3,(H,32,33)/t19-/m0/s1
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| InChIKey |
WNQPSJSRZQADEX-IBGZPJMESA-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