General Information of the Compound
| Compound ID |
CP0306780
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| Compound Name |
N-(3-chloro-4-methylphenyl)-4-[[(3S)-1-cyclopropylpiperidin-3-yl]methyl]piperazine-1-carboxamide
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| Structure |
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| Formula |
C21H31ClN4O
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| Molecular Weight |
390.959
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| Canonical SMILES |
Cc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(C3)C3CC3)CC2)cc1Cl
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| InChI |
InChI=1S/C21H31ClN4O/c1-16-4-5-18(13-20(16)22)23-21(27)25-11-9-24(10-12-25)14-17-3-2-8-26(15-17)19-6-7-19/h4-5,13,17,19H,2-3,6-12,14-15H2,1H3,(H,23,27)/t17-/m0/s1
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| InChIKey |
UYGVZNATVIIKQC-KRWDZBQOSA-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