General Information of the Compound
| Compound ID |
CP0514919
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| Compound Name |
CHEMBL4756737
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| Formula |
C21H23ClN4O
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| Molecular Weight |
382.895
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| Canonical SMILES |
Cc1cc(no1)[C@H]1CC[C@@H](CC1)c1nnc2CCCc3cc(Cl)ccc3-n12
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| InChI |
InChI=1S/C21H23ClN4O/c1-13-11-18(25-27-13)14-5-7-15(8-6-14)21-24-23-20-4-2-3-16-12-17(22)9-10-19(16)26(20)21/h9-12,14-15H,2-8H2,1H3/t14-,15-
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| InChIKey |
ITUFBBOETKZLGP-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