General Information of the Compound
| Compound ID |
CP0098462
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| Compound Name |
N-[2-[[(2S,3S)-1-(cyclopropylmethylamino)-3-hydroxyhexan-2-yl]amino]-2-oxoethyl]-2-(propan-2-ylcarbamoylamino)-5-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C24H36F3N5O4
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| Molecular Weight |
515.577
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| Canonical SMILES |
CCC[C@H](O)[C@H](CNCC1CC1)NC(=O)CNC(=O)c1cc(ccc1NC(=O)NC(C)C)C(F)(F)F
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| InChI |
InChI=1S/C24H36F3N5O4/c1-4-5-20(33)19(12-28-11-15-6-7-15)31-21(34)13-29-22(35)17-10-16(24(25,26)27)8-9-18(17)32-23(36)30-14(2)3/h8-10,14-15,19-20,28,33H,4-7,11-13H2,1-3H3,(H,29,35)(H,31,34)(H2,30,32,36)/t19-,20-/m0/s1
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| InChIKey |
BQUPZWGSYOWEQM-PMACEKPBSA-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