General Information of the Compound
| Compound ID |
CP0491576
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| Compound Name |
US9079906, 239
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| Formula |
C27H38N6O5
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| Molecular Weight |
526.638
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| Canonical SMILES |
CCNC(=O)c1nn2c(nn(CC(=O)c3cc(OCCCO)c(OC)c(c3)C(C)(C)C)\c2=N/C)c(C)c1C
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| InChI |
InChI=1S/C27H38N6O5/c1-9-29-25(36)22-16(2)17(3)24-31-32(26(28-7)33(24)30-22)15-20(35)18-13-19(27(4,5)6)23(37-8)21(14-18)38-12-10-11-34/h13-14,34H,9-12,15H2,1-8H3,(H,29,36)/b28-26+
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| InChIKey |
QXOXMJIPKBATPM-BYCLXTJYSA-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