General Information of the Compound
| Compound ID |
CP0567559
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| Compound Name |
6-[(3S)-3-(prop-2-enoylamino)pyrrolidin-1-yl]-2-[4-(2-pyrrolidin-1-ylethyl)anilino]pyridine-3-carboxamide
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| Structure |
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| Formula |
C25H32N6O2
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| Molecular Weight |
448.571
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| Canonical SMILES |
NC(=O)c1ccc(nc1Nc1ccc(CCN2CCCC2)cc1)N1CC[C@@H](C1)NC(=O)C=C
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| InChI |
InChI=1S/C25H32N6O2/c1-2-23(32)27-20-12-16-31(17-20)22-10-9-21(24(26)33)25(29-22)28-19-7-5-18(6-8-19)11-15-30-13-3-4-14-30/h2,5-10,20H,1,3-4,11-17H2,(H2,26,33)(H,27,32)(H,28,29)/t20-/m0/s1
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| InChIKey |
APJMAQHTUILKLX-FQEVSTJZSA-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