General Information of the Compound
| Compound ID |
CP0957878
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| Compound Name |
US9163012, 65
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| Formula |
C24H27N5O4
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| Molecular Weight |
449.511
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| Canonical SMILES |
N#Cc1ccc2[nH]c(=O)n([C@@H]3CCN(C(=O)O[C@H]4C5CC6CC4C[C@](C(N)=O)(C6)C5)C3)c2c1
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| InChI |
InChI=1S/C24H27N5O4/c25-11-13-1-2-18-19(7-13)29(22(31)27-18)17-3-4-28(12-17)23(32)33-20-15-5-14-6-16(20)10-24(8-14,9-15)21(26)30/h1-2,7,14-17,20H,3-6,8-10,12H2,(H2,26,30)(H,27,31)/t14?,15?,16?,17-,20-,24-/m1/s1
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| InChIKey |
UTMJNDXJBCZLGU-YALMGZAISA-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