General Information of the Compound
| Compound ID |
CP0915654
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| Compound Name |
US9314468, Table 7, Compound 94
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| Structure |
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| Formula |
C32H34N6
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| Molecular Weight |
502.666
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| Canonical SMILES |
c1ccc(N2CCNCC2)c(CN(Cc2nccc3c2[nH]c2ccccc23)[C@H]2CCCc3cccnc32)c1
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| InChI |
InChI=1S/C32H34N6/c1-4-12-29(37-19-17-33-18-20-37)24(7-1)21-38(30-13-5-8-23-9-6-15-35-31(23)30)22-28-32-26(14-16-34-28)25-10-2-3-11-27(25)36-32/h1-4,6-7,9-12,14-16,30,33,36H,5,8,13,17-22H2/t30-/m0/s1
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| InChIKey |
NSWWXZBFLLXKJE-PMERELPUSA-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