General Information of the Compound
| Compound ID |
CP0957735
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| Compound Name |
US8921559, 27
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| Formula |
C28H32Cl2N4O3
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| Molecular Weight |
543.495
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| Canonical SMILES |
O=C(O)C(N[C@H]1CC[C@H](c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1
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| InChI |
InChI=1S/C28H32Cl2N4O3/c29-23-10-9-20(15-24(23)30)33-28(37)34-13-11-18(12-14-34)26(27(35)36)32-19-7-5-17(6-8-19)22-16-31-25-4-2-1-3-21(22)25/h1-4,9-10,15-19,26,31-32H,5-8,11-14H2,(H,33,37)(H,35,36)/t17-,19-,26?
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| InChIKey |
JUEDMQRCJNPTSS-PRXVOJAISA-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