General Information of the Compound
| Compound ID |
CP0256325
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| Compound Name |
CHEMBL3769456
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| Formula |
C26H28ClN7O
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| Molecular Weight |
490.011
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| Canonical SMILES |
CNc1ncc2cc(-c3ccc(cc3Cl)-c3cncc(C)n3)c(=O)n(C[C@H]3CC[C@H](N)CC3)c2n1
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| InChI |
InChI=1S/C26H28ClN7O/c1-15-11-30-13-23(32-15)17-5-8-20(22(27)10-17)21-9-18-12-31-26(29-2)33-24(18)34(25(21)35)14-16-3-6-19(28)7-4-16/h5,8-13,16,19H,3-4,6-7,14,28H2,1-2H3,(H,29,31,33)/t16-,19-
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| InChIKey |
HWHNITBPQIFDQC-RUCARUNLSA-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