General Information of the Compound
| Compound ID |
CP0319723
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| Compound Name |
US10005782, Compound 5
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| Structure |
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| Formula |
C25H23N5O2
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| Molecular Weight |
425.492
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| Canonical SMILES |
NC(=O)c1c2NCCC(c3ccccc3N)n2nc1-c1ccc(Oc2ccccc2)cc1
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| InChI |
InChI=1S/C25H23N5O2/c26-20-9-5-4-8-19(20)21-14-15-28-25-22(24(27)31)23(29-30(21)25)16-10-12-18(13-11-16)32-17-6-2-1-3-7-17/h1-13,21,28H,14-15,26H2,(H2,27,31)
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| InChIKey |
AFYVGCSZIQXWJH-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