General Information of the Compound
| Compound ID |
CP0871168
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| Compound Name |
3-(2-butynyl)-6-(2-oxo-1,2,3,4-tetrahydro-quinoline-6-carbonyl)-2-[(S)-1-(4-trifluoromethylphenyl)ethylamino]-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one hydrochloride
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| Structure |
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| Formula |
C30H29ClF3N5O3
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| Molecular Weight |
600.041
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| Canonical SMILES |
CC#CCn1c(N[C@@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1ccc3c(c1)CCC(=O)N3)CC2.Cl
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| InChI |
InChI=1S/C30H28F3N5O3.ClH/c1-3-4-14-38-28(41)23-17-37(27(40)21-7-11-24-20(16-21)8-12-26(39)35-24)15-13-25(23)36-29(38)34-18(2)19-5-9-22(10-6-19)30(31,32)33;/h5-7,9-11,16,18H,8,12-15,17H2,1-2H3,(H,34,36)(H,35,39);1H/t18-;/m0./s1
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| InChIKey |
ZBRMWBFZLTWTRV-FERBBOLQSA-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