General Information of the Compound
| Compound ID |
CP0515003
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| Compound Name |
US9314468, Table 7, Compound 116
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| Structure |
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| Formula |
C35H45N7O2
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| Molecular Weight |
595.792
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| Canonical SMILES |
CN1CCN(CCCN(Cc2nccc3c4ccccc4n(CC(=O)N4CCOCC4)c23)[C@H]2CCCc3cccnc23)CC1
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| InChI |
InChI=1S/C35H45N7O2/c1-38-17-19-39(20-18-38)15-6-16-41(32-11-4-7-27-8-5-13-37-34(27)32)25-30-35-29(12-14-36-30)28-9-2-3-10-31(28)42(35)26-33(43)40-21-23-44-24-22-40/h2-3,5,8-10,12-14,32H,4,6-7,11,15-26H2,1H3/t32-/m0/s1
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| InChIKey |
RKEAONCKABKXHL-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