General Information of the Compound
| Compound ID |
CP0476931
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| Compound Name |
US10028961, Compound 269
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| Structure |
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| Formula |
C19H23N7
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| Molecular Weight |
349.442
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| Canonical SMILES |
C[C@@H](Nc1nc(N[C@H](C)C2CC2)nc(n1)-c1cccc(n1)C#N)C1CC1
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| InChI |
InChI=1S/C19H23N7/c1-11(13-6-7-13)21-18-24-17(16-5-3-4-15(10-20)23-16)25-19(26-18)22-12(2)14-8-9-14/h3-5,11-14H,6-9H2,1-2H3,(H2,21,22,24,25,26)/t11-,12-/m1/s1
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| InChIKey |
BOOMYPYTFNGPNE-VXGBXAGGSA-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