General Information of the Compound
Compound ID |
CP0366543
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Compound Name |
(6S)-9-amino-14,31-dichloro-25-oxa-2,8,10,16,19-pentazatetracyclo[24.2.2.212,15.02,6]dotriaconta-1(28),9,12,14,26,29,31-heptaene-7,17-dione
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Structure |
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Formula |
C26H32Cl2N6O3
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Molecular Weight |
547.487
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Canonical SMILES |
N\C1=N/C(=O)[C@@H]2CCCN2c2ccc(OCCCCCNCC(=O)Nc3c(Cl)cc(CN1)cc3Cl)cc2
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InChI |
InChI=1S/C26H32Cl2N6O3/c27-20-13-17-14-21(28)24(20)32-23(35)16-30-10-2-1-3-12-37-19-8-6-18(7-9-19)34-11-4-5-22(34)25(36)33-26(29)31-15-17/h6-9,13-14,22,30H,1-5,10-12,15-16H2,(H,32,35)(H3,29,31,33,36)/t22-/m0/s1
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InChIKey |
HCUHNHRIBFNJKR-QFIPXVFZSA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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