General Information of the Compound
| Compound ID |
CP0639657
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| Compound Name |
(S)-6-(1H-Benzo[d]imidazol-1-yl)-N-(5-((1-methylpyrrolidin-2-yl)methoxy)pyridin-2-yl)pyrimidin-4-amine
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| Structure |
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| Formula |
C22H23N7O
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| Molecular Weight |
401.474
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| Canonical SMILES |
CN1CCC[C@H]1COc1ccc(Nc2cc(-n3cnc4ccccc43)ncn2)nc1
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| InChI |
InChI=1S/C22H23N7O/c1-28-10-4-5-16(28)13-30-17-8-9-20(23-12-17)27-21-11-22(25-14-24-21)29-15-26-18-6-2-3-7-19(18)29/h2-3,6-9,11-12,14-16H,4-5,10,13H2,1H3,(H,23,24,25,27)/t16-/m0/s1
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| InChIKey |
JCQSAYNTEFQHGH-INIZCTEOSA-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