General Information of the Compound
| Compound ID |
CP0202732
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| Compound Name |
N-[(2S,3R)-4-[[(4S)-6-ethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]-3-hydroxy-1-(3-prop-2-enylphenyl)butan-2-yl]pent-4-enamide
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| Structure |
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| Formula |
C32H42N2O3
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| Molecular Weight |
502.699
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| Canonical SMILES |
CCc1ccc2OC3(CCC3)C[C@H](NC[C@@H](O)[C@H](Cc3cccc(CC=C)c3)NC(=O)CCC=C)c2c1
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| InChI |
InChI=1S/C32H42N2O3/c1-4-7-13-31(36)34-27(20-25-12-8-11-24(18-25)10-5-2)29(35)22-33-28-21-32(16-9-17-32)37-30-15-14-23(6-3)19-26(28)30/h4-5,8,11-12,14-15,18-19,27-29,33,35H,1-2,6-7,9-10,13,16-17,20-22H2,3H3,(H,34,36)/t27-,28-,29+/m0/s1
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| InChIKey |
MJRQGMBREBIHCB-YTCPBCGMSA-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