General Information of the Compound
| Compound ID |
CP0954558
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| Compound Name |
US9090618, ZA61
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| Formula |
C29H40N6
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| Molecular Weight |
472.681
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| Canonical SMILES |
Cc1nnc(Cc2nc3ccccc3n2[C@H]2C[C@H]3CCC[C@@H](C2)N3[C@@H]2C[C@@H]3CCCC[C@@H](C3)C2)[nH]1
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| InChI |
InChI=1S/C29H40N6/c1-19-30-28(33-32-19)18-29-31-26-11-4-5-12-27(26)35(29)25-16-22-9-6-10-23(17-25)34(22)24-14-20-7-2-3-8-21(13-20)15-24/h4-5,11-12,20-25H,2-3,6-10,13-18H2,1H3,(H,30,32,33)/t20-,21+,22-,23+,24-,25+
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| InChIKey |
JRRQXSDUQMJLBB-ZWZZYCPGSA-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