General Information of the Compound
| Compound ID |
CP0501987
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| Compound Name |
CHEMBL272716
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| Formula |
C29H37ClN6O
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| Molecular Weight |
521.109
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| Canonical SMILES |
CC(C)c1nnc(C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCCN(C(=O)Nc1ccc(Cl)cc1)c1ccccc1
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| InChI |
InChI=1S/C29H37ClN6O/c1-20(2)28-33-32-21(3)36(28)27-18-25-14-15-26(19-27)34(25)16-7-17-35(24-8-5-4-6-9-24)29(37)31-23-12-10-22(30)11-13-23/h4-6,8-13,20,25-27H,7,14-19H2,1-3H3,(H,31,37)/t25-,26+,27+
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| InChIKey |
JHNQKQRRXFXQGB-UQWUFBTJSA-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