General Information of the Compound
| Compound ID |
CP0024002
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| Compound Name |
5-(2-aminopyrimidin-5-yl)-7-chloro-2-[(1S)-1-cyclopropylethyl]-3H-isoindol-1-one
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| Structure |
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| Formula |
C17H17ClN4O
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| Molecular Weight |
328.803
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| Canonical SMILES |
C[C@@H](C1CC1)N1Cc2cc(cc(Cl)c2C1=O)-c1cnc(N)nc1
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| InChI |
InChI=1S/C17H17ClN4O/c1-9(10-2-3-10)22-8-12-4-11(5-14(18)15(12)16(22)23)13-6-20-17(19)21-7-13/h4-7,9-10H,2-3,8H2,1H3,(H2,19,20,21)/t9-/m0/s1
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| InChIKey |
SOBMEMRPVOUYEF-VIFPVBQESA-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