General Information of the Compound
| Compound ID |
CP0512615
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| Compound Name |
(6aR,9R)-N-[3-[(dimethylamino)methyl]phenyl]-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 |
C29H33N5O2
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| Molecular Weight |
483.616
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| Canonical SMILES |
CN(C)Cc1cccc(NC(=O)N2C[C@@H](C=C3[C@H]2Cc2c[nH]c4cccc3c24)C(=O)N2CCCC2)c1
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| InChI |
InChI=1S/C29H33N5O2/c1-32(2)17-19-7-5-8-22(13-19)31-29(36)34-18-21(28(35)33-11-3-4-12-33)14-24-23-9-6-10-25-27(23)20(16-30-25)15-26(24)34/h5-10,13-14,16,21,26,30H,3-4,11-12,15,17-18H2,1-2H3,(H,31,36)/t21-,26-/m1/s1
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| InChIKey |
YNOWTDDOXUMSHZ-QFQXNSOFSA-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