General Information of the Compound
| Compound ID |
CP0494922
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| Compound Name |
US9314468, Table 7, Compound 132
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| Structure |
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| Formula |
C35H44N6O2
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| Molecular Weight |
580.777
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| Canonical SMILES |
O=C(Cn1c2ccccc2c2ccnc(CN(CCCC3CCNCC3)[C@H]3CCCc4cccnc34)c12)N1CCOCC1
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| InChI |
InChI=1S/C35H44N6O2/c42-33(39-20-22-43-23-21-39)25-41-31-10-2-1-9-28(31)29-14-18-37-30(35(29)41)24-40(19-5-6-26-12-16-36-17-13-26)32-11-3-7-27-8-4-15-38-34(27)32/h1-2,4,8-10,14-15,18,26,32,36H,3,5-7,11-13,16-17,19-25H2/t32-/m0/s1
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| InChIKey |
DTWYHOJPBDJGOX-YTTGMZPUSA-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