General Information of the Compound
| Compound ID |
CP0558727
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| Compound Name |
US8933079, 7.4
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| Structure |
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| Formula |
C25H28ClN5O3
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| Molecular Weight |
481.984
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| Canonical SMILES |
CN1CCN(Cc2ccc(C(=O)Cn3ncc(OCc4ccc(Cl)cn4)cc3=O)c(C)c2)CC1
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| InChI |
InChI=1S/C25H28ClN5O3/c1-18-11-19(15-30-9-7-29(2)8-10-30)3-6-23(18)24(32)16-31-25(33)12-22(14-28-31)34-17-21-5-4-20(26)13-27-21/h3-6,11-14H,7-10,15-17H2,1-2H3
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| InChIKey |
NVMGJPZLMLOPEY-UHFFFAOYSA-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