General Information of the Compound
| Compound ID |
CP0459271
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| Compound Name |
CHEMBL2024520
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| Formula |
C19H28Cl2N4O
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| Molecular Weight |
399.366
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| Canonical SMILES |
NC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2ccc(Cl)c(Cl)c2)CC1
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| InChI |
InChI=1S/C19H28Cl2N4O/c20-17-6-5-16(13-18(17)21)25-11-9-24(10-12-25)8-7-14-1-3-15(4-2-14)23-19(22)26/h5-6,13-15H,1-4,7-12H2,(H3,22,23,26)/t14-,15-
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| InChIKey |
PYTQKUTVNQGNKV-SHTZXODSSA-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