General Information of the Compound
| Compound ID |
CP0563856
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| Compound Name |
US8906911, 35
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| Structure |
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| Formula |
C25H35ClN4O3
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| Molecular Weight |
475.033
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| Canonical SMILES |
CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(Cl)c1
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| InChI |
InChI=1S/C25H35ClN4O3/c1-32-22-15-33-8-5-21(22)28-17-9-16-3-2-6-25(16,12-17)24(31)30-14-19-10-20(30)13-29(19)18-4-7-27-23(26)11-18/h4,7,11,16-17,19-22,28H,2-3,5-6,8-10,12-15H2,1H3/t16-,17-,19+,20+,21+,22-,25-/m1/s1
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| InChIKey |
FHIIOVUYJXIXRB-WSMPKYOYSA-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