General Information of the Compound
| Compound ID |
CP0189449
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| Compound Name |
4-(3-methylanilino)-2-[[(3R)-piperidin-3-yl]amino]pyrimidine-5-carboxamide
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| Structure |
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| Formula |
C17H22N6O
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| Molecular Weight |
326.404
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| Canonical SMILES |
Cc1cccc(Nc2nc(N[C@@H]3CCCNC3)ncc2C(N)=O)c1
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| InChI |
InChI=1S/C17H22N6O/c1-11-4-2-5-12(8-11)21-16-14(15(18)24)10-20-17(23-16)22-13-6-3-7-19-9-13/h2,4-5,8,10,13,19H,3,6-7,9H2,1H3,(H2,18,24)(H2,20,21,22,23)/t13-/m1/s1
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| InChIKey |
FZMCQVGUQKFBIJ-CYBMUJFWSA-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