General Information of the Compound
| Compound ID |
CP0084689
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| Compound Name |
(6S,12R)-12-(3-aminopropyl)-8-methyl-6-propyl-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione
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| Structure |
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| Formula |
C24H39N5O4
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| Molecular Weight |
461.607
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| Canonical SMILES |
CCC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](CCCN)NC(=O)CN(C)C1=O
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| InChI |
InChI=1S/C24H39N5O4/c1-3-8-20-24(32)29(2)17-22(30)28-19(11-6-13-25)23(31)27-14-7-10-18-9-4-5-12-21(18)33-16-15-26-20/h4-5,9,12,19-20,26H,3,6-8,10-11,13-17,25H2,1-2H3,(H,27,31)(H,28,30)/t19-,20+/m1/s1
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| InChIKey |
KEIVZWATTXRAGZ-UXHICEINSA-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