General Information of the Compound
| Compound ID |
CP0362355
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| Compound Name |
4-[[(1S)-1-(1-methylpyrazol-3-yl)ethyl]amino]-6-pyridin-3-ylquinoline-3-carboxamide
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| Structure |
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| Formula |
C21H20N6O
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| Molecular Weight |
372.432
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| Canonical SMILES |
C[C@H](Nc1c(cnc2ccc(cc12)-c1cccnc1)C(N)=O)c1ccn(C)n1
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| InChI |
InChI=1S/C21H20N6O/c1-13(18-7-9-27(2)26-18)25-20-16-10-14(15-4-3-8-23-11-15)5-6-19(16)24-12-17(20)21(22)28/h3-13H,1-2H3,(H2,22,28)(H,24,25)/t13-/m0/s1
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| InChIKey |
KCBCGZCZHKEUPT-ZDUSSCGKSA-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
Protein ID: PT01902, Serine-protein kinase ATM
Protein ID: PT01934, Serine/threonine-protein kinase ATR