General Information of the Compound
| Compound ID |
CP0224192
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| Compound Name |
US8680275, 175
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| Structure |
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| Formula |
C23H25N5O2
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| Molecular Weight |
403.486
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| Canonical SMILES |
Cc1onc(c1C(=O)N1CC[C@H]2CN([C@H]2C1)c1nc(C)cc(C)n1)-c1ccccc1
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| InChI |
InChI=1S/C23H25N5O2/c1-14-11-15(2)25-23(24-14)28-12-18-9-10-27(13-19(18)28)22(29)20-16(3)30-26-21(20)17-7-5-4-6-8-17/h4-8,11,18-19H,9-10,12-13H2,1-3H3/t18-,19-/m0/s1
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| InChIKey |
KDERXKCKYOXBLQ-OALUTQOASA-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