General Information of the Compound
| Compound ID |
CP0010866
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| Compound Name |
US9777008, Compound 250
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| Structure |
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| Formula |
C29H34N6O
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| Molecular Weight |
482.632
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| Canonical SMILES |
CN1CCC(C1)n1cnc2ccc(cc12)-c1ccnc(NCC(O)CN2CCc3ccccc3C2)c1
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| InChI |
InChI=1S/C29H34N6O/c1-33-12-10-25(18-33)35-20-32-27-7-6-22(14-28(27)35)23-8-11-30-29(15-23)31-16-26(36)19-34-13-9-21-4-2-3-5-24(21)17-34/h2-8,11,14-15,20,25-26,36H,9-10,12-13,16-19H2,1H3,(H,30,31)
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| InChIKey |
MDDRTMKQCBUPQO-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