General Information of the Compound
| Compound ID |
CP0561403
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| Compound Name |
US9481682, 53
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| Structure |
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| Formula |
C30H31N7O4
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| Molecular Weight |
553.623
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| Canonical SMILES |
COc1cc(ccc1-c1nc([C@@H]2CC[C@H]3[C@@H](C)OC(=O)N3C2)n2ccnc(N)c12)C(=O)Nc1cc(ccn1)C1CC1
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| InChI |
InChI=1S/C30H31N7O4/c1-16-22-8-6-20(15-37(22)30(39)41-16)28-35-25(26-27(31)33-11-12-36(26)28)21-7-5-19(13-23(21)40-2)29(38)34-24-14-18(9-10-32-24)17-3-4-17/h5,7,9-14,16-17,20,22H,3-4,6,8,15H2,1-2H3,(H2,31,33)(H,32,34,38)/t16-,20-,22+/m1/s1
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| InChIKey |
JNNREEYEJCUVSJ-CNDZOEFASA-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