General Information of the Compound
| Compound ID |
CP0255250
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| Compound Name |
4-[5-[[(3S)-piperidin-3-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]piperazin-2-one
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| Structure |
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| Formula |
C17H23N7O
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| Molecular Weight |
341.419
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| Canonical SMILES |
O=C1CN(CCN1)c1cc2nccnc2c(NC[C@H]2CCCNC2)n1
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| InChI |
InChI=1S/C17H23N7O/c25-15-11-24(7-6-20-15)14-8-13-16(21-5-4-19-13)17(23-14)22-10-12-2-1-3-18-9-12/h4-5,8,12,18H,1-3,6-7,9-11H2,(H,20,25)(H,22,23)/t12-/m0/s1
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| InChIKey |
WVLAYLIGJMFARP-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