General Information of the Compound
| Compound ID |
CP0534211
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| Compound Name |
2-[(2R,5R)-17,20-dimethyl-3,12-dioxo-2-[(1-oxo-2H-isoquinolin-7-yl)amino]-13-oxa-4,11-diazatricyclo[14.2.2.16,10]henicosa-1(19),6(21),7,9,16(20),17-hexaen-5-yl]acetic acid
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| Structure |
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| Formula |
C31H30N4O6
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| Molecular Weight |
554.603
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| Canonical SMILES |
Cc1cc2cc(C)c1CCOC(=O)Nc1cccc(c1)[C@@H](CC(O)=O)NC(=O)[C@@H]2Nc1ccc2cc[nH]c(=O)c2c1
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| InChI |
InChI=1S/C31H30N4O6/c1-17-12-21-13-18(2)24(17)9-11-41-31(40)34-22-5-3-4-20(14-22)26(16-27(36)37)35-30(39)28(21)33-23-7-6-19-8-10-32-29(38)25(19)15-23/h3-8,10,12-15,26,28,33H,9,11,16H2,1-2H3,(H,32,38)(H,34,40)(H,35,39)(H,36,37)/t26-,28-/m1/s1
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| InChIKey |
UDRFURNJHRNKMJ-IXCJQBJRSA-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