General Information of the Compound
| Compound ID |
CP0401089
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| Compound Name |
(3R)-(+)-3-((Cyclopropylmethyl){[6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl]methyl}amino)-8-fluorochromane-5-carboxamide
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| Structure |
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| Formula |
C27H29F2N3O2
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| Molecular Weight |
465.544
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| Canonical SMILES |
NC(=O)c1ccc(F)c2OC[C@@H](Cc12)N(CC1CC1)CC1CCc2[nH]c3ccc(F)cc3c2C1
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| InChI |
InChI=1S/C27H29F2N3O2/c28-17-4-8-25-21(10-17)20-9-16(3-7-24(20)31-25)13-32(12-15-1-2-15)18-11-22-19(27(30)33)5-6-23(29)26(22)34-14-18/h4-6,8,10,15-16,18,31H,1-3,7,9,11-14H2,(H2,30,33)/t16?,18-/m1/s1
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| InChIKey |
RBRHSYULRVRCBX-UHUGOGIASA-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