General Information of the Compound
| Compound ID |
CP0014663
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| Compound Name |
N,N'-bis[2-[[(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]amino]-2-oxoethyl]octanediamide
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| Formula |
C54H62N8O8
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| Molecular Weight |
951.138
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| Canonical SMILES |
O=C(CCCCCCC(=O)NCC(=O)Nc1ccc2N3[C@H]4[C@@H]5[C@H](CC3=O)OCC=C3CN6CC[C@]4([C@@H]6C[C@H]53)c2c1)NCC(=O)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/C54H62N8O8/c63-43(55-25-45(65)57-31-7-9-37-35(19-31)53-13-15-59-27-29-11-17-69-39-23-47(67)61(37)51(53)49(39)33(29)21-41(53)59)5-3-1-2-4-6-44(64)56-26-46(66)58-32-8-10-38-36(20-32)54-14-16-60-28-30-12-18-70-40-24-48(68)62(38)52(54)50(40)34(30)22-42(54)60/h7-12,19-20,33-34,39-42,49-52H,1-6,13-18,21-28H2,(H,55,63)(H,56,64)(H,57,65)(H,58,66)/t33-,34-,39-,40-,41-,42-,49-,50-,51-,52-,53+,54+/m0/s1
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| InChIKey |
BTIIJGSQWGQYEV-KSGXWREISA-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