General Information of the Compound
| Compound ID |
CP0405844
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| Compound Name |
US9481682, 38
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| Structure |
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| Formula |
C30H31N7O3
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| Molecular Weight |
537.624
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| Canonical SMILES |
COc1cc(ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12)C(=O)Nc1cc(ccn1)C1CC1
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| InChI |
InChI=1S/C30H31N7O3/c1-40-23-14-19(30(39)34-24-15-18(10-11-32-24)17-2-3-17)5-8-22(23)26-27-28(31)33-12-13-36(27)29(35-26)20-4-6-21-7-9-25(38)37(21)16-20/h5,8,10-15,17,20-21H,2-4,6-7,9,16H2,1H3,(H2,31,33)(H,32,34,39)/t20-,21+/m1/s1
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| InChIKey |
NBPGTZCIOSYYNB-RTWAWAEBSA-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