General Information of the Compound
| Compound ID |
CP0398229
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| Compound Name |
methyl (1S,12E,14R,15R,18S)-15-ethyl-17-methyl-12-(phenylhydrazinylidene)-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate
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| Structure |
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| Formula |
C27H32N4O2
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| Molecular Weight |
444.579
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| Canonical SMILES |
CC[C@H]1CN(C)[C@H]2Cc3c([nH]c4ccccc34)\C(C[C@H]1[C@@H]2C(=O)OC)=N\Nc1ccccc1
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| InChI |
InChI=1S/C27H32N4O2/c1-4-17-16-31(2)24-15-21-19-12-8-9-13-22(19)28-26(21)23(14-20(17)25(24)27(32)33-3)30-29-18-10-6-5-7-11-18/h5-13,17,20,24-25,28-29H,4,14-16H2,1-3H3/b30-23+/t17-,20+,24-,25-/m0/s1
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| InChIKey |
OQXABNSYRNOHGC-PQFDNZKTSA-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