General Information of the Compound
| Compound ID |
CP0120561
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| Compound Name |
CHEMBL3740472
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| Formula |
C21H30N4O2
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| Molecular Weight |
370.497
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| Canonical SMILES |
COCCCN1C[C@H]2[C@H](CNC(=O)c3nc(C(C)C)n4ccccc34)[C@H]2C1
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| InChI |
InChI=1S/C21H30N4O2/c1-14(2)20-23-19(18-7-4-5-9-25(18)20)21(26)22-11-15-16-12-24(13-17(15)16)8-6-10-27-3/h4-5,7,9,14-17H,6,8,10-13H2,1-3H3,(H,22,26)/t15-,16-,17+
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| InChIKey |
PIWCAMJYLCDVQL-OSYLJGHBSA-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