General Information of the Compound
| Compound ID |
CP0502921
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| Compound Name |
(6aR,9R)-9-(azepane-1-carbonyl)-N-phenyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carboxamide
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| Structure |
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| Formula |
C28H30N4O2
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| Molecular Weight |
454.574
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| Canonical SMILES |
O=C(Nc1ccccc1)N1C[C@@H](C=C2[C@H]1Cc1c[nH]c3cccc2c13)C(=O)N1CCCCCC1
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| InChI |
InChI=1S/C28H30N4O2/c33-27(31-13-6-1-2-7-14-31)20-15-23-22-11-8-12-24-26(22)19(17-29-24)16-25(23)32(18-20)28(34)30-21-9-4-3-5-10-21/h3-5,8-12,15,17,20,25,29H,1-2,6-7,13-14,16,18H2,(H,30,34)/t20-,25-/m1/s1
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| InChIKey |
HRLSOMUMSXEQJD-CJFMBICVSA-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
Protein ID: PT05171, C-X-C chemokine receptor type 3
Protein ID: PT03433, C-X-C chemokine receptor type 3