General Information of the Compound
| Compound ID |
CP0523437
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| Compound Name |
CHEMBL1916254
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| Formula |
C23H28ClN5O3
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| Molecular Weight |
457.962
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| Canonical SMILES |
CN(C)C(=O)Cn1ccc(n1)C(=O)N[C@H]1C(C)(C)[C@H](Oc2ccc(C#N)c(Cl)c2)C1(C)C
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| InChI |
InChI=1S/C23H28ClN5O3/c1-22(2)20(26-19(31)17-9-10-29(27-17)13-18(30)28(5)6)23(3,4)21(22)32-15-8-7-14(12-25)16(24)11-15/h7-11,20-21H,13H2,1-6H3,(H,26,31)/t20-,21-
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| InChIKey |
BQRYLDCZCTUJSL-MEMLXQNLSA-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