General Information of the Compound
| Compound ID |
CP0552492
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| Compound Name |
US9481682, 147
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| Structure |
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| Formula |
C32H32ClN7O3
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| Molecular Weight |
598.107
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| Canonical SMILES |
Nc1ncc(Cl)n2c(nc(-c3ccc(cc3OC3CC3)C(=O)Nc3cc(ccn3)C3CC3)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1
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| InChI |
InChI=1S/C32H32ClN7O3/c33-25-15-36-30(34)29-28(38-31(40(25)29)20-3-5-21-6-10-27(41)39(21)16-20)23-9-4-19(13-24(23)43-22-7-8-22)32(42)37-26-14-18(11-12-35-26)17-1-2-17/h4,9,11-15,17,20-22H,1-3,5-8,10,16H2,(H2,34,36)(H,35,37,42)/t20-,21+/m1/s1
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| InChIKey |
SCVQPRSVALODDA-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