General Information of the Compound
| Compound ID |
CP0953454
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| Compound Name |
{4-[(Z)-3-Bromo-phenylimino]-3-methyl-3,4,4a,8a-tetrahydro-pyrido[4,3-d]pyrimidin-7-yl}-methyl-amine
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| Formula |
C15H16BrN5
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| Molecular Weight |
346.232
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| Canonical SMILES |
CNC1=CC2N=CN(C)/C(=N\c3cccc(Br)c3)C2C=N1
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| InChI |
InChI=1S/C15H16BrN5/c1-17-14-7-13-12(8-18-14)15(21(2)9-19-13)20-11-5-3-4-10(16)6-11/h3-9,12-13,17H,1-2H3/b20-15-
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| InChIKey |
UARBXUYIJZLCKY-HKWRFOASSA-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