General Information of the Compound
| Compound ID |
CP0256595
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| Compound Name |
2-[4-[6-[(4-fluorophenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]-N,N-dimethylethanamine
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| Structure |
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| Formula |
C27H34FN7
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| Molecular Weight |
475.616
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| Canonical SMILES |
CN(C)CCN1CCN(CC1)c1nc(nc2CCN(Cc3ccc(F)cc3)Cc12)-c1ccccn1
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| InChI |
InChI=1S/C27H34FN7/c1-32(2)13-14-33-15-17-35(18-16-33)27-23-20-34(19-21-6-8-22(28)9-7-21)12-10-24(23)30-26(31-27)25-5-3-4-11-29-25/h3-9,11H,10,12-20H2,1-2H3
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| InChIKey |
ZGRHTSMDPNPJSN-UHFFFAOYSA-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