General Information of the Compound
| Compound ID |
CP0529639
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| Compound Name |
N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]-5-chloro-N-methyl-1H-indole-2-carboxamide
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| Structure |
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| Formula |
C16H17ClN6O
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| Molecular Weight |
344.806
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| Canonical SMILES |
CN(CCNc1ccnc(N)n1)C(=O)c1cc2cc(Cl)ccc2[nH]1
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| InChI |
InChI=1S/C16H17ClN6O/c1-23(7-6-19-14-4-5-20-16(18)22-14)15(24)13-9-10-8-11(17)2-3-12(10)21-13/h2-5,8-9,21H,6-7H2,1H3,(H3,18,19,20,22)
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| InChIKey |
OJYQXZJQOKPSGN-UHFFFAOYSA-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