General Information of the Compound
| Compound ID |
CP0262145
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| Compound Name |
(1S,3R)-N-(3,5-bis(trifluoromethyl)benzyl)-3-(chroman-4-ylamino)-1-isopropylcyclopentanecarboxamide
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| Structure |
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| Formula |
C27H30F6N2O2
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| Molecular Weight |
528.537
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| Canonical SMILES |
CC(C)[C@@]1(CC[C@H](C1)NC1CCOc2ccccc12)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C27H30F6N2O2/c1-16(2)25(9-7-20(14-25)35-22-8-10-37-23-6-4-3-5-21(22)23)24(36)34-15-17-11-18(26(28,29)30)13-19(12-17)27(31,32)33/h3-6,11-13,16,20,22,35H,7-10,14-15H2,1-2H3,(H,34,36)/t20-,22?,25+/m1/s1
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| InChIKey |
XPNTZDKIYNVUSU-NSULSOORSA-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