General Information of the Compound
| Compound ID |
CP0451462
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| Compound Name |
CHEMBL2059577
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| Formula |
C26H39N5O2
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| Molecular Weight |
453.631
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| Canonical SMILES |
CC(C)n1nc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3CC(O)CN2CCCCC2)c2ccccc12
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| InChI |
InChI=1S/C26H39N5O2/c1-18(2)31-24-9-5-4-8-23(24)25(28-31)26(33)27-19-14-20-10-11-21(15-19)30(20)17-22(32)16-29-12-6-3-7-13-29/h4-5,8-9,18-22,32H,3,6-7,10-17H2,1-2H3,(H,27,33)/t19-,20+,21-,22?
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| InChIKey |
XPOXTLGZPYLDFV-PVTQMLBVSA-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