General Information of the Compound
| Compound ID |
CP0475715
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| Compound Name |
US9493474, 13A
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| Structure |
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| Formula |
C27H31N7O4
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| Molecular Weight |
517.59
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| Canonical SMILES |
Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCCC2(CCCN(C2)C(=O)c2ccc(nc2)-n2cnnn2)C1
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| InChI |
InChI=1S/C27H31N7O4/c1-18-20(5-6-21-22(18)14-38-26(21)37)23(35)13-32-10-2-8-27(15-32)9-3-11-33(16-27)25(36)19-4-7-24(28-12-19)34-17-29-30-31-34/h4-7,12,17,23,35H,2-3,8-11,13-16H2,1H3/t23-,27?/m0/s1
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| InChIKey |
MKXHJPBSXYFHLC-DCCUJTHKSA-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