General Information of the Compound
| Compound ID |
CP0238558
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| Compound Name |
(6R,9R,12S)-6-benzyl-12-[(2S)-butan-2-yl]-9,10-dimethyl-4,7,10,13-tetrazabicyclo[15.4.0]henicosa-1(21),17,19-triene-5,8,11-trione
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| Structure |
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| Formula |
C30H42N4O3
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| Molecular Weight |
506.691
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| Canonical SMILES |
CC[C@H](C)[C@@H]1NCCCc2ccccc2CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O
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| InChI |
InChI=1S/C30H42N4O3/c1-5-21(2)27-30(37)34(4)22(3)28(35)33-26(20-23-12-7-6-8-13-23)29(36)32-19-17-25-15-10-9-14-24(25)16-11-18-31-27/h6-10,12-15,21-22,26-27,31H,5,11,16-20H2,1-4H3,(H,32,36)(H,33,35)/t21-,22+,26+,27-/m0/s1
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| InChIKey |
ATPVOAOEYSJDIH-BKNUMKMGSA-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