General Information of the Compound
| Compound ID |
CP0095147
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| Compound Name |
(6S,23E)-9-amino-14,32-dichloro-26-oxa-2,8,10,16,19-pentazatetracyclo[25.2.2.212,15.02,6]tritriaconta-1(29),9,12,14,23,27,30,32-octaene-7,17-dione
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| Structure |
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| Formula |
C27H32Cl2N6O3
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| Molecular Weight |
559.498
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| Canonical SMILES |
N\C1=N/C(=O)[C@@H]2CCCN2c2ccc(OC\C=C\CCCNCC(=O)Nc3c(Cl)cc(CN1)cc3Cl)cc2
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| InChI |
InChI=1S/C27H32Cl2N6O3/c28-21-14-18-15-22(29)25(21)33-24(36)17-31-11-3-1-2-4-13-38-20-9-7-19(8-10-20)35-12-5-6-23(35)26(37)34-27(30)32-16-18/h2,4,7-10,14-15,23,31H,1,3,5-6,11-13,16-17H2,(H,33,36)(H3,30,32,34,37)/b4-2+/t23-/m0/s1
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| InChIKey |
XAPZEJASZMKPEN-ZGVNINRLSA-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