General Information of the Compound
| Compound ID |
CP0380293
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| Compound Name |
CHEMBL3741918
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| Formula |
C23H34N4O2
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| Molecular Weight |
398.551
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| Canonical SMILES |
COCC(C)(C)CN1C[C@H]2[C@H](CNC(=O)c3nc(C(C)C)n4ccccc34)[C@H]2C1
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| InChI |
InChI=1S/C23H34N4O2/c1-15(2)21-25-20(19-8-6-7-9-27(19)21)22(28)24-10-16-17-11-26(12-18(16)17)13-23(3,4)14-29-5/h6-9,15-18H,10-14H2,1-5H3,(H,24,28)/t16-,17-,18+
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| InChIKey |
KYOTXTZWOUNYTR-NNZMDNLPSA-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