General Information of the Compound
| Compound ID |
CP0555722
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| Compound Name |
CHEMBL4853456
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| Formula |
C23H22ClN5O
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| Molecular Weight |
419.916
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| Canonical SMILES |
CCC(NC(=O)c1ccc(Cl)cc1)[C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2ncc(cc12)C#N
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| InChI |
InChI=1S/C23H22ClN5O/c1-2-19(28-23(30)14-3-5-15(24)6-4-14)21-17-8-16(9-18(17)21)29-12-27-22-20(29)7-13(10-25)11-26-22/h3-7,11-12,16-19,21H,2,8-9H2,1H3,(H,28,30)/t16-,17-,18+,19?,21+
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| InChIKey |
YCEWCDQCRWLWQD-IAZBLINFSA-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