General Information of the Compound
| Compound ID |
CP0141410
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| Compound Name |
1-[4-[7-(3-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one
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| Structure |
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| Formula |
C24H25N5O2
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| Molecular Weight |
415.497
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| Canonical SMILES |
Oc1cc(N2CCc3c(C2)ncnc3N2CCN(CC2)C(=O)C=C)c2ccccc2c1
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| InChI |
InChI=1S/C24H25N5O2/c1-2-23(31)27-9-11-28(12-10-27)24-20-7-8-29(15-21(20)25-16-26-24)22-14-18(30)13-17-5-3-4-6-19(17)22/h2-6,13-14,16,30H,1,7-12,15H2
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| InChIKey |
SNBGSXWIUUIPDD-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