General Information of the Compound
| Compound ID |
CP0484115
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| Compound Name |
US9481682, 5
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| Structure |
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| Formula |
C29H29N7O3
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| Molecular Weight |
523.597
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| Canonical SMILES |
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(OC4CC4)ccn3)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1
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| InChI |
InChI=1S/C29H29N7O3/c30-27-26-25(34-28(35(26)14-13-32-27)19-5-6-20-7-10-24(37)36(20)16-19)17-1-3-18(4-2-17)29(38)33-23-15-22(11-12-31-23)39-21-8-9-21/h1-4,11-15,19-21H,5-10,16H2,(H2,30,32)(H,31,33,38)/t19-,20+/m1/s1
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| InChIKey |
AWMDPSDORCXLGH-UXHICEINSA-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