General Information of the Compound
| Compound ID |
CP0559753
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| Compound Name |
CHEMBL17427
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| Formula |
C29H30ClN5O
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| Molecular Weight |
500.046
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| Canonical SMILES |
CN(C[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(Cl)cc2)c2ccccc2n1)C(=O)c1ccccc1
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| InChI |
InChI=1S/C29H30ClN5O/c1-35(28(36)21-7-3-2-4-8-21)19-20-11-15-24(16-12-20)32-29-33-26-10-6-5-9-25(26)27(34-29)31-23-17-13-22(30)14-18-23/h2-10,13-14,17-18,20,24H,11-12,15-16,19H2,1H3,(H2,31,32,33,34)/t20-,24-
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| InChIKey |
HJIJTYZXAAPNKP-LSNLESRRSA-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