General Information of the Compound
| Compound ID |
CP0041318
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| Compound Name |
(6S,21E)-9-amino-14,30-dichloro-24-oxa-2,8,10,16,19-pentazatetracyclo[23.2.2.212,15.02,6]hentriaconta-1(27),9,12,14,21,25,28,30-octaene-7,17-dione
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| Structure |
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| Formula |
C25H28Cl2N6O3
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| Molecular Weight |
531.444
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| Canonical SMILES |
N\C1=N/C(=O)[C@@H]2CCCN2c2ccc(OC\C=C\CNCC(=O)Nc3c(Cl)cc(CN1)cc3Cl)cc2
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| InChI |
InChI=1S/C25H28Cl2N6O3/c26-19-12-16-13-20(27)23(19)31-22(34)15-29-9-1-2-11-36-18-7-5-17(6-8-18)33-10-3-4-21(33)24(35)32-25(28)30-14-16/h1-2,5-8,12-13,21,29H,3-4,9-11,14-15H2,(H,31,34)(H3,28,30,32,35)/b2-1+/t21-/m0/s1
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| InChIKey |
QZVULTBRCJQMMO-BTFLMBNSSA-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