General Information of the Compound
| Compound ID |
CP0404824
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| Compound Name |
N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]-3-(methylamino)propanamide
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| Structure |
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| Formula |
C27H39ClN6O2
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| Molecular Weight |
515.102
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| Canonical SMILES |
CNCCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(CC1)C1CCCCC1
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| InChI |
InChI=1S/C27H39ClN6O2/c1-29-14-11-25(35)32-24(17-21-7-9-23(28)10-8-21)26(36)33-15-12-27(13-16-33,18-34-20-30-19-31-34)22-5-3-2-4-6-22/h7-10,19-20,22,24,29H,2-6,11-18H2,1H3,(H,32,35)/t24-/m1/s1
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| InChIKey |
NGEJNNUETPNCPF-XMMPIXPASA-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