General Information of the Compound
| Compound ID |
CP0416375
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| Compound Name |
2-[(2S)-4-[7-(8-methoxynaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile
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| Structure |
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| Formula |
C33H39N7O3
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| Molecular Weight |
581.721
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| Canonical SMILES |
COc1cccc2cccc(N3CCc4c(C3)nc(OC[C@@H]3CCCN3C)nc4N3CCN([C@@H](CC#N)C3)C(=O)C=C)c12
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| InChI |
InChI=1S/C33H39N7O3/c1-4-30(41)40-19-18-39(20-24(40)13-15-34)32-26-14-17-38(28-11-5-8-23-9-6-12-29(42-3)31(23)28)21-27(26)35-33(36-32)43-22-25-10-7-16-37(25)2/h4-6,8-9,11-12,24-25H,1,7,10,13-14,16-22H2,2-3H3/t24-,25-/m0/s1
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| InChIKey |
RUPCTBLXDABNHV-DQEYMECFSA-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