General Information of the Compound
| Compound ID |
CP0545648
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| Compound Name |
US9125915, compound 10
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| Structure |
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| Formula |
C29H29N5O3S
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| Molecular Weight |
527.65
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| Canonical SMILES |
COC(=O)C[C@@H]1N=C(c2c(C)c(C)sc2-n2c(C)nnc12)c1ccc(NC(=O)CCc2ccccc2)cc1
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| InChI |
InChI=1S/C29H29N5O3S/c1-17-18(2)38-29-26(17)27(31-23(16-25(36)37-4)28-33-32-19(3)34(28)29)21-11-13-22(14-12-21)30-24(35)15-10-20-8-6-5-7-9-20/h5-9,11-14,23H,10,15-16H2,1-4H3,(H,30,35)/t23-/m0/s1
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| InChIKey |
OZHGOXVBHNGBBM-QHCPKHFHSA-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