General Information of the Compound
| Compound ID |
CP0459131
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| Compound Name |
CHEMBL1774015
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| Formula |
C25H30ClN3O2
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| Molecular Weight |
439.987
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| Canonical SMILES |
CN1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)Cc1ccccc1
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| InChI |
InChI=1S/C25H30ClN3O2/c1-29-21-11-12-22(29)16-20(15-21)27-25(31)23(13-18-7-9-19(26)10-8-18)28-24(30)14-17-5-3-2-4-6-17/h2-10,20-23H,11-16H2,1H3,(H,27,31)(H,28,30)/t20-,21+,22-,23-/m0/s1
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| InChIKey |
WYLPBGBKQSYZQQ-BJESRGMDSA-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