General Information of the Compound
| Compound ID |
CP0454266
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| Compound Name |
CHEMBL539651
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| Formula |
C37H51N5O2
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| Molecular Weight |
597.848
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| Canonical SMILES |
CC(C)n1c2ccccc2cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3CCCCCCCN2CCN(CC2)c2ccccc2)c1=O
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| InChI |
InChI=1S/C37H51N5O2/c1-28(2)42-35-16-10-9-13-29(35)25-34(37(42)44)36(43)38-30-26-32-17-18-33(27-30)41(32)20-12-5-3-4-11-19-39-21-23-40(24-22-39)31-14-7-6-8-15-31/h6-10,13-16,25,28,30,32-33H,3-5,11-12,17-24,26-27H2,1-2H3,(H,38,43)/t30-,32+,33-
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| InChIKey |
OTWJCQNGXQUBEK-IFBCEJQISA-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