General Information of the Compound
| Compound ID |
CP0008291
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| Compound Name |
N,N'-bis[(4aR,5aS,8aR,13aS,15aS,15bR)-14-oxo-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-10-yl]octanediamide
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| Formula |
C50H56N6O6
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| Molecular Weight |
837.034
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| Canonical SMILES |
O=C(CCCCCCC(=O)Nc1ccc2N3[C@H]4[C@@H]5[C@H](CC3=O)OCC=C3CN6CC[C@]4([C@@H]6C[C@H]53)c2c1)Nc1ccc2N3[C@H]4[C@@H]5[C@H](CC3=O)OCC=C3CN6CC[C@]4([C@@H]6C[C@H]53)c2c1
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| InChI |
InChI=1S/C50H56N6O6/c57-41(51-29-7-9-35-33(19-29)49-13-15-53-25-27-11-17-61-37-23-43(59)55(35)47(49)45(37)31(27)21-39(49)53)5-3-1-2-4-6-42(58)52-30-8-10-36-34(20-30)50-14-16-54-26-28-12-18-62-38-24-44(60)56(36)48(50)46(38)32(28)22-40(50)54/h7-12,19-20,31-32,37-40,45-48H,1-6,13-18,21-26H2,(H,51,57)(H,52,58)/t31-,32-,37-,38-,39-,40-,45-,46-,47-,48-,49+,50+/m0/s1
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| InChIKey |
FIDNROXWZXYOPU-LRMVCSOMSA-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