General Information of the Compound
| Compound ID |
CP0904422
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| Compound Name |
2-[(S)-1-(4-chlorophenyl)-2-methylpropylamino]-6-(2,3-dihydrobenzo[1,4]dioxine-6-carbonyl)-3-methoxy-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
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| Structure |
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| Formula |
C27H29ClN4O5
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| Molecular Weight |
525.005
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| Canonical SMILES |
COn1c(N[C@H](c2ccc(Cl)cc2)C(C)C)nc2c(c1=O)CN(C(=O)c1ccc3c(c1)OCCO3)CC2
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| InChI |
InChI=1S/C27H29ClN4O5/c1-16(2)24(17-4-7-19(28)8-5-17)30-27-29-21-10-11-31(15-20(21)26(34)32(27)35-3)25(33)18-6-9-22-23(14-18)37-13-12-36-22/h4-9,14,16,24H,10-13,15H2,1-3H3,(H,29,30)/t24-/m0/s1
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| InChIKey |
MXFUVWBKHNWQHI-DEOSSOPVSA-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