General Information of the Compound
| Compound ID |
CP0047014
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| Compound Name |
(S)-N-((3-amino-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl)methyl)-4-chlorobenzamide
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| Structure |
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| Formula |
C19H21ClN6O
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| Molecular Weight |
384.871
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| Canonical SMILES |
Cc1c[nH]c2ncnc(N3CC[C@](N)(CNC(=O)c4ccc(Cl)cc4)C3)c12
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| InChI |
InChI=1S/C19H21ClN6O/c1-12-8-22-16-15(12)17(25-11-24-16)26-7-6-19(21,10-26)9-23-18(27)13-2-4-14(20)5-3-13/h2-5,8,11H,6-7,9-10,21H2,1H3,(H,23,27)(H,22,24,25)/t19-/m0/s1
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| InChIKey |
ZFGTXXFHVWNYLH-IBGZPJMESA-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