General Information of the Compound
| Compound ID |
CP0512848
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| Compound Name |
(6aR,9R)-N-(furan-2-ylmethyl)-9-(pyrrolidine-1-carbonyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carboxamide
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| Structure |
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| Formula |
C25H26N4O3
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| Molecular Weight |
430.508
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| Canonical SMILES |
O=C(NCc1ccco1)N1C[C@@H](C=C2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)N1CCCC1
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| InChI |
InChI=1S/C25H26N4O3/c30-24(28-8-1-2-9-28)17-11-20-19-6-3-7-21-23(19)16(13-26-21)12-22(20)29(15-17)25(31)27-14-18-5-4-10-32-18/h3-7,10-11,13,17,22,26H,1-2,8-9,12,14-15H2,(H,27,31)/t17-,22-/m1/s1
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| InChIKey |
IDRNNMNCSFUBCH-VGOFRKELSA-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