General Information of the Compound
| Compound ID |
CP0397996
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| Compound Name |
(6aR,9R)-N-methyl-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 |
C21H24N4O2
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| Molecular Weight |
364.449
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| Canonical SMILES |
CNC(=O)N1C[C@@H](C=C2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)N1CCCC1
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| InChI |
InChI=1S/C21H24N4O2/c1-22-21(27)25-12-14(20(26)24-7-2-3-8-24)9-16-15-5-4-6-17-19(15)13(11-23-17)10-18(16)25/h4-6,9,11,14,18,23H,2-3,7-8,10,12H2,1H3,(H,22,27)/t14-,18-/m1/s1
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| InChIKey |
CVPDIVQTMIROPA-RDTXWAMCSA-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