General Information of the Compound
| Compound ID |
CP0495280
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| Compound Name |
US9428456, 2.103
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| Structure |
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| Formula |
C25H34N4O2
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| Molecular Weight |
422.573
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| Canonical SMILES |
C[C@H]1C[C@H](CCN1Cc1cccc(NC(=O)c2cncc(C)c2)c1)C(=O)NC(C)(C)C
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| InChI |
InChI=1S/C25H34N4O2/c1-17-11-21(15-26-14-17)23(30)27-22-8-6-7-19(13-22)16-29-10-9-20(12-18(29)2)24(31)28-25(3,4)5/h6-8,11,13-15,18,20H,9-10,12,16H2,1-5H3,(H,27,30)(H,28,31)/t18-,20-/m0/s1
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| InChIKey |
OMWQVOVCNGTWTM-ICSRJNTNSA-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