General Information of the Compound
| Compound ID |
CP0125432
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| Compound Name |
(7S)-7,14-dimethyl-11-oxa-3,4,6,13,14,18,23-heptazatetracyclo[17.3.1.02,6.012,16]tricosa-1(23),2,4,12,15,19,21-heptaen-17-one
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| Structure |
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| Formula |
C17H19N7O2
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| Molecular Weight |
353.386
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| Canonical SMILES |
C[C@H]1CCCOc2nn(C)cc2C(=O)Nc2cccc(n2)-c2nncn12
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| InChI |
InChI=1S/C17H19N7O2/c1-11-5-4-8-26-17-12(9-23(2)22-17)16(25)20-14-7-3-6-13(19-14)15-21-18-10-24(11)15/h3,6-7,9-11H,4-5,8H2,1-2H3,(H,19,20,25)/t11-/m0/s1
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| InChIKey |
JNTRRDGKMKNYAI-NSHDSACASA-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