General Information of the Compound
| Compound ID |
CP0551052
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| Compound Name |
US8993586, 104
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| Structure |
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| Formula |
C24H26ClN5O2
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| Molecular Weight |
451.958
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| Canonical SMILES |
CC(C)(C)n1cc2CC3(CCN(CC3)C(=O)c3ccc4ccc(Cl)nc4c3)NC(=O)c2n1
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| InChI |
InChI=1S/C24H26ClN5O2/c1-23(2,3)30-14-17-13-24(27-21(31)20(17)28-30)8-10-29(11-9-24)22(32)16-5-4-15-6-7-19(25)26-18(15)12-16/h4-7,12,14H,8-11,13H2,1-3H3,(H,27,31)
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| InChIKey |
MSKXXSVWOVMZOL-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