General Information of the Compound
| Compound ID |
CP0527717
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| Compound Name |
2-chloro-1-[2,4-diamino-6-[2-(4-fluorophenyl)ethyl]-7,8-dihydro-6H-pyrido[3,2-d]pyrimidin-5-yl]ethanone
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| Formula |
C17H19ClFN5O
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| Molecular Weight |
363.824
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| Canonical SMILES |
Nc1nc(N)c2N(C(CCc3ccc(F)cc3)CCc2n1)C(=O)CCl
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| InChI |
InChI=1S/C17H19ClFN5O/c18-9-14(25)24-12(6-3-10-1-4-11(19)5-2-10)7-8-13-15(24)16(20)23-17(21)22-13/h1-2,4-5,12H,3,6-9H2,(H4,20,21,22,23)
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| InChIKey |
ANJMDWWQXHBWCG-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