General Information of the Compound
| Compound ID |
CP0452797
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| Compound Name |
CHEMBL404056
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| Formula |
C29H36Cl2N6O
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| Molecular Weight |
555.554
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| Canonical SMILES |
CC(C)c1nnc(C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCCN(C(=O)Nc1c(Cl)cccc1Cl)c1ccccc1
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| InChI |
InChI=1S/C29H36Cl2N6O/c1-19(2)28-34-33-20(3)37(28)24-17-22-13-14-23(18-24)35(22)15-8-16-36(21-9-5-4-6-10-21)29(38)32-27-25(30)11-7-12-26(27)31/h4-7,9-12,19,22-24H,8,13-18H2,1-3H3,(H,32,38)/t22-,23+,24+
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| InChIKey |
AIEICGJWVNJQPK-UBRQYEGLSA-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