General Information of the Compound
| Compound ID |
CP0465547
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| Compound Name |
US9212153, 180,Ex. 141
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| Structure |
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| Formula |
C26H25N5O2
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| Molecular Weight |
439.519
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| Canonical SMILES |
COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)-c2cc(cc(c2)[N+]#[C-])C#N)CC1
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| InChI |
InChI=1S/C26H25N5O2/c1-29-20-11-16(15-27)10-19(12-20)17-4-5-18-14-25(8-6-21(33-3)7-9-25)26(22(18)13-17)23(32)31(2)24(28)30-26/h4-5,10-13,21H,6-9,14H2,2-3H3,(H2,28,30)
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| InChIKey |
JTTGUXFSEBWABB-UHFFFAOYSA-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