General Information of the Compound
| Compound ID |
CP0512847
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| Compound Name |
(6aR,9R)-N-[3-(dimethylamino)propyl]-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 |
C25H33N5O2
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| Molecular Weight |
435.572
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| Canonical SMILES |
CN(C)CCCNC(=O)N1C[C@@H](C=C2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)N1CCCC1
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| InChI |
InChI=1S/C25H33N5O2/c1-28(2)10-6-9-26-25(32)30-16-18(24(31)29-11-3-4-12-29)13-20-19-7-5-8-21-23(19)17(15-27-21)14-22(20)30/h5,7-8,13,15,18,22,27H,3-4,6,9-12,14,16H2,1-2H3,(H,26,32)/t18-,22-/m1/s1
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| InChIKey |
TVJJKNPHBXNTFB-XMSQKQJNSA-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