General Information of the Compound
| Compound ID |
CP0899616
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| Compound Name |
(5S,8R,11R)-11-((1H-imidazol-4-yl)methyl)-5-sec-butyl-7,8-dimethyl-4,5,7,8,10,11,13,14,15,16-decahydro-2H-benzo[q][1,4,7,10,13]oxatetraazacyclooctadecine-6,9,12(3H)-trione
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| Structure |
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| Formula |
C27H40N6O4
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| Molecular Weight |
512.655
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| Canonical SMILES |
CCC(C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2c[nH]cn2)NC(=O)[C@@H](C)N(C)C1=O
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| InChI |
InChI=1S/C27H40N6O4/c1-5-18(2)24-27(36)33(4)19(3)25(34)32-22(15-21-16-28-17-31-21)26(35)30-12-8-10-20-9-6-7-11-23(20)37-14-13-29-24/h6-7,9,11,16-19,22,24,29H,5,8,10,12-15H2,1-4H3,(H,28,31)(H,30,35)(H,32,34)/t18?,19-,22-,24+/m1/s1
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| InChIKey |
VFYGQGWJXRKFQZ-BUMQSHRFSA-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