General Information of the Compound
| Compound ID |
CP0546874
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| Compound Name |
N-[(3S)-1-(cyclobutylamino)-1-oxo-5-piperidin-1-ylpentan-3-yl]-1-cyclopentyl-5-(2-cyclopropylphenyl)pyrazole-3-carboxamide
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| Structure |
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| Formula |
C32H45N5O2
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| Molecular Weight |
531.745
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| Canonical SMILES |
O=C(C[C@H](CCN1CCCCC1)NC(=O)c1cc(-c2ccccc2C2CC2)n(n1)C1CCCC1)NC1CCC1
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| InChI |
InChI=1S/C32H45N5O2/c38-31(33-24-9-8-10-24)21-25(17-20-36-18-6-1-7-19-36)34-32(39)29-22-30(37(35-29)26-11-2-3-12-26)28-14-5-4-13-27(28)23-15-16-23/h4-5,13-14,22-26H,1-3,6-12,15-21H2,(H,33,38)(H,34,39)/t25-/m0/s1
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| InChIKey |
LMPWVMXWDCGRQR-VWLOTQADSA-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