General Information of the Compound
| Compound ID |
CP0518323
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| Compound Name |
US9108947, 21
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| Structure |
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| Formula |
C23H26N4O3
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| Molecular Weight |
406.486
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| Canonical SMILES |
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC(C)(CNc2ccc(cn2)[N+]#[C-])C1
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| InChI |
InChI=1S/C23H26N4O3/c1-15-17(5-6-18-19(15)12-30-22(18)29)20(28)11-27-9-8-23(2,14-27)13-26-21-7-4-16(24-3)10-25-21/h4-7,10,20,28H,8-9,11-14H2,1-2H3,(H,25,26)/t20-,23?/m0/s1
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| InChIKey |
JLDCPFISZBXTIL-AJZOCDQUSA-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