General Information of the Compound
| Compound ID |
CP0525658
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| Compound Name |
CHEMBL256584
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| Formula |
C29H44N6O
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| Molecular Weight |
492.712
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| Canonical SMILES |
CC(C)c1nnc(C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCCN(C(=O)NC1CCCCC1)c1ccccc1
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| InChI |
InChI=1S/C29H44N6O/c1-21(2)28-32-31-22(3)35(28)27-19-25-15-16-26(20-27)33(25)17-10-18-34(24-13-8-5-9-14-24)29(36)30-23-11-6-4-7-12-23/h5,8-9,13-14,21,23,25-27H,4,6-7,10-12,15-20H2,1-3H3,(H,30,36)/t25-,26+,27+
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| InChIKey |
KRWVPQRCPFINHU-UQWUFBTJSA-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