General Information of the Compound
| Compound ID |
CP0011897
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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]decanediamide
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| Formula |
C52H60N6O6
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| Molecular Weight |
865.088
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| Canonical SMILES |
O=C(CCCCCCCCC(=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/C52H60N6O6/c59-43(53-31-9-11-37-35(21-31)51-15-17-55-27-29-13-19-63-39-25-45(61)57(37)49(51)47(39)33(29)23-41(51)55)7-5-3-1-2-4-6-8-44(60)54-32-10-12-38-36(22-32)52-16-18-56-28-30-14-20-64-40-26-46(62)58(38)50(52)48(40)34(30)24-42(52)56/h9-14,21-22,33-34,39-42,47-50H,1-8,15-20,23-28H2,(H,53,59)(H,54,60)/t33-,34-,39-,40-,41-,42-,47-,48-,49-,50-,51+,52+/m0/s1
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| InChIKey |
QLCSKZVXUOKPBG-UZNBVYRHSA-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