General Information of the Compound
| Compound ID |
CP0419000
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| Compound Name |
2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-6-chloro-N-methylquinazolin-4-amine
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| Structure |
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| Formula |
C16H20ClN5
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| Molecular Weight |
317.824
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| Canonical SMILES |
CNc1nc(nc2ccc(Cl)cc12)N1CCN2CCC[C@H]2C1
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| InChI |
InChI=1S/C16H20ClN5/c1-18-15-13-9-11(17)4-5-14(13)19-16(20-15)22-8-7-21-6-2-3-12(21)10-22/h4-5,9,12H,2-3,6-8,10H2,1H3,(H,18,19,20)/t12-/m0/s1
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| InChIKey |
LNDSWQGFZGVCHW-LBPRGKRZSA-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